USER MOD reduce.3.24.130724 H: found=0, std=0, add=713, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 711 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 ASN : amide:sc= -0.399 K(o=-1.3,f=-7.8!) USER MOD Set 1.2: A 17 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 55 THR OG1 : rot -83:sc= -0.898 USER MOD Set 2.1: A 25 MET CE :methyl -103:sc= -1.28 (180deg=-0.702) USER MOD Set 2.2: A 45 MET CE :methyl -152:sc= -1.78 (180deg=-4.93!) USER MOD Set 3.1: A 19 TYR OH : rot 98:sc= 0.00742 USER MOD Set 3.2: A 51 CYS SG : rot 108:sc= 0.013 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -56:sc= 0.064 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.0398 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.0105 X(o=-0.011,f=-0.024) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 56 TYR OH : rot -13:sc= 0.61 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl 167:sc= -0.995 (180deg=-1.51) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 76 SER OG : rot 180:sc= -0.115 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ -156:sc= -0.0764 (180deg=-0.405) USER MOD Single : A 82 ASN : amide:sc= -0.0974 K(o=-0.097,f=-2.1!) USER MOD Single : A 86 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0542) USER MOD Single : A 87 GLN : amide:sc= -2.31 K(o=-2.3,f=-3.1!) USER MOD Single : A 89 MET CE :methyl -155:sc= -0.272 (180deg=-1.1) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 29:sc= 0.975 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.981 36.826 -0.188 1.00 0.00 N ATOM 2 CA GLY A 1 -7.897 35.646 0.653 1.00 0.00 C ATOM 3 C GLY A 1 -8.650 34.465 0.073 1.00 0.00 C ATOM 4 O GLY A 1 -9.878 34.484 -0.011 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.450 37.605 0.252 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.576 36.616 -1.122 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.977 37.104 -0.297 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.850 35.374 0.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.297 35.878 1.640 1.00 0.00 H new ATOM 8 N SER A 2 -7.912 33.435 -0.329 1.00 0.00 N ATOM 9 CA SER A 2 -8.518 32.242 -0.909 1.00 0.00 C ATOM 10 C SER A 2 -9.047 31.316 0.181 1.00 0.00 C ATOM 11 O SER A 2 -8.348 30.409 0.634 1.00 0.00 O ATOM 12 CB SER A 2 -7.500 31.499 -1.777 1.00 0.00 C ATOM 13 OG SER A 2 -7.069 32.304 -2.860 1.00 0.00 O ATOM 0 H SER A 2 -6.895 33.403 -0.264 1.00 0.00 H new ATOM 0 HA SER A 2 -9.356 32.556 -1.532 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.642 31.211 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.945 30.579 -2.158 1.00 0.00 H new ATOM 0 HG SER A 2 -6.418 31.807 -3.398 1.00 0.00 H new ATOM 19 N SER A 3 -10.286 31.551 0.600 1.00 0.00 N ATOM 20 CA SER A 3 -10.909 30.741 1.640 1.00 0.00 C ATOM 21 C SER A 3 -11.873 29.726 1.034 1.00 0.00 C ATOM 22 O SER A 3 -12.881 30.093 0.432 1.00 0.00 O ATOM 23 CB SER A 3 -11.651 31.635 2.636 1.00 0.00 C ATOM 24 OG SER A 3 -10.775 32.584 3.219 1.00 0.00 O ATOM 0 H SER A 3 -10.879 32.296 0.235 1.00 0.00 H new ATOM 0 HA SER A 3 -10.122 30.200 2.165 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.466 32.151 2.129 1.00 0.00 H new ATOM 0 HB3 SER A 3 -12.099 31.021 3.417 1.00 0.00 H new ATOM 0 HG SER A 3 -11.273 33.144 3.850 1.00 0.00 H new ATOM 30 N GLY A 4 -11.555 28.445 1.198 1.00 0.00 N ATOM 31 CA GLY A 4 -12.401 27.396 0.662 1.00 0.00 C ATOM 32 C GLY A 4 -12.577 26.242 1.629 1.00 0.00 C ATOM 33 O GLY A 4 -13.660 26.044 2.179 1.00 0.00 O ATOM 0 H GLY A 4 -10.726 28.116 1.693 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.378 27.812 0.416 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.969 27.025 -0.267 1.00 0.00 H new ATOM 37 N SER A 5 -11.510 25.478 1.837 1.00 0.00 N ATOM 38 CA SER A 5 -11.553 24.334 2.740 1.00 0.00 C ATOM 39 C SER A 5 -10.683 24.580 3.969 1.00 0.00 C ATOM 40 O SER A 5 -11.131 24.411 5.104 1.00 0.00 O ATOM 41 CB SER A 5 -11.087 23.068 2.017 1.00 0.00 C ATOM 42 OG SER A 5 -12.114 22.546 1.192 1.00 0.00 O ATOM 0 H SER A 5 -10.605 25.630 1.392 1.00 0.00 H new ATOM 0 HA SER A 5 -12.584 24.199 3.066 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.209 23.293 1.412 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.786 22.317 2.748 1.00 0.00 H new ATOM 0 HG SER A 5 -11.792 21.739 0.740 1.00 0.00 H new ATOM 48 N SER A 6 -9.437 24.979 3.735 1.00 0.00 N ATOM 49 CA SER A 6 -8.503 25.245 4.822 1.00 0.00 C ATOM 50 C SER A 6 -8.195 23.969 5.598 1.00 0.00 C ATOM 51 O SER A 6 -8.148 23.972 6.828 1.00 0.00 O ATOM 52 CB SER A 6 -9.074 26.305 5.767 1.00 0.00 C ATOM 53 OG SER A 6 -8.056 26.868 6.577 1.00 0.00 O ATOM 0 H SER A 6 -9.051 25.125 2.802 1.00 0.00 H new ATOM 0 HA SER A 6 -7.576 25.618 4.387 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.558 27.091 5.187 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.841 25.858 6.400 1.00 0.00 H new ATOM 0 HG SER A 6 -7.601 26.156 7.072 1.00 0.00 H new ATOM 59 N GLY A 7 -7.985 22.876 4.870 1.00 0.00 N ATOM 60 CA GLY A 7 -7.685 21.607 5.506 1.00 0.00 C ATOM 61 C GLY A 7 -8.474 20.458 4.909 1.00 0.00 C ATOM 62 O GLY A 7 -8.681 20.403 3.697 1.00 0.00 O ATOM 0 H GLY A 7 -8.017 22.847 3.851 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.619 21.400 5.411 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.902 21.678 6.572 1.00 0.00 H new ATOM 66 N GLU A 8 -8.913 19.538 5.762 1.00 0.00 N ATOM 67 CA GLU A 8 -9.682 18.384 5.310 1.00 0.00 C ATOM 68 C GLU A 8 -8.795 17.405 4.546 1.00 0.00 C ATOM 69 O GLU A 8 -9.193 16.864 3.514 1.00 0.00 O ATOM 70 CB GLU A 8 -10.845 18.833 4.423 1.00 0.00 C ATOM 71 CG GLU A 8 -11.901 17.760 4.215 1.00 0.00 C ATOM 72 CD GLU A 8 -12.504 17.275 5.519 1.00 0.00 C ATOM 73 OE1 GLU A 8 -12.557 18.069 6.481 1.00 0.00 O ATOM 74 OE2 GLU A 8 -12.924 16.100 5.576 1.00 0.00 O ATOM 0 H GLU A 8 -8.750 19.569 6.768 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.080 17.878 6.190 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -11.313 19.710 4.869 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.454 19.139 3.453 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -12.692 18.153 3.577 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -11.457 16.916 3.688 1.00 0.00 H new ATOM 81 N ARG A 9 -7.590 17.182 5.061 1.00 0.00 N ATOM 82 CA ARG A 9 -6.645 16.270 4.427 1.00 0.00 C ATOM 83 C ARG A 9 -6.547 14.962 5.206 1.00 0.00 C ATOM 84 O ARG A 9 -5.814 14.868 6.191 1.00 0.00 O ATOM 85 CB ARG A 9 -5.264 16.921 4.326 1.00 0.00 C ATOM 86 CG ARG A 9 -4.414 16.374 3.192 1.00 0.00 C ATOM 87 CD ARG A 9 -2.938 16.666 3.411 1.00 0.00 C ATOM 88 NE ARG A 9 -2.422 16.012 4.610 1.00 0.00 N ATOM 89 CZ ARG A 9 -1.138 16.003 4.948 1.00 0.00 C ATOM 90 NH1 ARG A 9 -0.243 16.610 4.181 1.00 0.00 N ATOM 91 NH2 ARG A 9 -0.746 15.386 6.056 1.00 0.00 N ATOM 0 H ARG A 9 -7.245 17.620 5.915 1.00 0.00 H new ATOM 0 HA ARG A 9 -7.009 16.049 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.387 17.995 4.190 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -4.734 16.777 5.268 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -4.565 15.298 3.109 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.737 16.814 2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -2.370 16.332 2.543 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -2.790 17.743 3.493 1.00 0.00 H new ATOM 0 HE ARG A 9 -3.085 15.536 5.222 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -0.540 17.085 3.329 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.743 16.602 4.443 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -1.431 14.918 6.649 1.00 0.00 H new ATOM 0 HH22 ARG A 9 0.241 15.380 6.314 1.00 0.00 H new ATOM 105 N ARG A 10 -7.290 13.955 4.758 1.00 0.00 N ATOM 106 CA ARG A 10 -7.288 12.653 5.414 1.00 0.00 C ATOM 107 C ARG A 10 -5.974 11.920 5.162 1.00 0.00 C ATOM 108 O ARG A 10 -5.523 11.130 5.992 1.00 0.00 O ATOM 109 CB ARG A 10 -8.460 11.806 4.916 1.00 0.00 C ATOM 110 CG ARG A 10 -9.818 12.319 5.369 1.00 0.00 C ATOM 111 CD ARG A 10 -10.941 11.747 4.518 1.00 0.00 C ATOM 112 NE ARG A 10 -11.126 10.316 4.746 1.00 0.00 N ATOM 113 CZ ARG A 10 -12.113 9.608 4.208 1.00 0.00 C ATOM 114 NH1 ARG A 10 -12.999 10.195 3.416 1.00 0.00 N ATOM 115 NH2 ARG A 10 -12.214 8.310 4.462 1.00 0.00 N ATOM 0 H ARG A 10 -7.901 14.016 3.943 1.00 0.00 H new ATOM 0 HA ARG A 10 -7.395 12.814 6.487 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.438 11.775 3.827 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.332 10.782 5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -9.979 12.052 6.413 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -9.835 13.407 5.312 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.869 12.273 4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -10.722 11.921 3.464 1.00 0.00 H new ATOM 0 HE ARG A 10 -10.461 9.834 5.351 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -12.924 11.193 3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -13.756 9.649 3.004 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -11.534 7.855 5.071 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -12.972 7.767 4.049 1.00 0.00 H new ATOM 129 N ALA A 11 -5.364 12.186 4.011 1.00 0.00 N ATOM 130 CA ALA A 11 -4.102 11.553 3.651 1.00 0.00 C ATOM 131 C ALA A 11 -3.467 12.239 2.446 1.00 0.00 C ATOM 132 O ALA A 11 -4.149 12.834 1.611 1.00 0.00 O ATOM 133 CB ALA A 11 -4.316 10.074 3.366 1.00 0.00 C ATOM 0 H ALA A 11 -5.724 12.836 3.312 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.420 11.655 4.495 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -3.365 9.614 3.098 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.718 9.587 4.254 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.019 9.960 2.541 1.00 0.00 H new ATOM 139 N PRO A 12 -2.132 12.158 2.353 1.00 0.00 N ATOM 140 CA PRO A 12 -1.377 12.766 1.254 1.00 0.00 C ATOM 141 C PRO A 12 -1.611 12.054 -0.074 1.00 0.00 C ATOM 142 O PRO A 12 -2.287 11.026 -0.128 1.00 0.00 O ATOM 143 CB PRO A 12 0.081 12.608 1.695 1.00 0.00 C ATOM 144 CG PRO A 12 0.074 11.435 2.613 1.00 0.00 C ATOM 145 CD PRO A 12 -1.256 11.465 3.313 1.00 0.00 C ATOM 0 HA PRO A 12 -1.674 13.800 1.079 1.00 0.00 H new ATOM 0 HB2 PRO A 12 0.737 12.438 0.841 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.441 13.504 2.200 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.202 10.505 2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.893 11.495 3.329 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.617 10.460 3.533 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.199 11.998 4.262 1.00 0.00 H new ATOM 153 N ARG A 13 -1.049 12.607 -1.144 1.00 0.00 N ATOM 154 CA ARG A 13 -1.198 12.024 -2.473 1.00 0.00 C ATOM 155 C ARG A 13 0.115 11.407 -2.946 1.00 0.00 C ATOM 156 O ARG A 13 0.133 10.311 -3.506 1.00 0.00 O ATOM 157 CB ARG A 13 -1.663 13.087 -3.469 1.00 0.00 C ATOM 158 CG ARG A 13 -1.903 12.546 -4.869 1.00 0.00 C ATOM 159 CD ARG A 13 -1.675 13.614 -5.927 1.00 0.00 C ATOM 160 NE ARG A 13 -2.697 14.656 -5.881 1.00 0.00 N ATOM 161 CZ ARG A 13 -3.966 14.456 -6.218 1.00 0.00 C ATOM 162 NH1 ARG A 13 -4.367 13.259 -6.622 1.00 0.00 N ATOM 163 NH2 ARG A 13 -4.837 15.454 -6.150 1.00 0.00 N ATOM 0 H ARG A 13 -0.487 13.457 -1.117 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.949 11.236 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.584 13.540 -3.101 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.916 13.879 -3.518 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -1.238 11.702 -5.053 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.923 12.170 -4.945 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.692 14.063 -5.783 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.673 13.152 -6.914 1.00 0.00 H new ATOM 0 HE ARG A 13 -2.421 15.589 -5.573 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.700 12.489 -6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.342 13.108 -6.880 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.532 16.376 -5.839 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.811 15.299 -6.409 1.00 0.00 H new ATOM 177 N LYS A 14 1.214 12.119 -2.718 1.00 0.00 N ATOM 178 CA LYS A 14 2.532 11.643 -3.119 1.00 0.00 C ATOM 179 C LYS A 14 3.155 10.779 -2.027 1.00 0.00 C ATOM 180 O LYS A 14 2.763 10.856 -0.863 1.00 0.00 O ATOM 181 CB LYS A 14 3.450 12.826 -3.435 1.00 0.00 C ATOM 182 CG LYS A 14 2.919 13.732 -4.532 1.00 0.00 C ATOM 183 CD LYS A 14 3.160 13.140 -5.910 1.00 0.00 C ATOM 184 CE LYS A 14 2.373 13.881 -6.980 1.00 0.00 C ATOM 185 NZ LYS A 14 2.134 13.032 -8.180 1.00 0.00 N ATOM 0 H LYS A 14 1.217 13.029 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 14 2.413 11.034 -4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.596 13.414 -2.529 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.428 12.447 -3.730 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.851 13.894 -4.386 1.00 0.00 H new ATOM 0 HG3 LYS A 14 3.401 14.707 -4.465 1.00 0.00 H new ATOM 0 HD2 LYS A 14 4.224 13.182 -6.144 1.00 0.00 H new ATOM 0 HD3 LYS A 14 2.875 12.088 -5.910 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.417 14.206 -6.569 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.916 14.780 -7.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.595 13.573 -8.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.046 12.743 -8.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.594 12.187 -7.905 1.00 0.00 H new ATOM 199 N GLY A 15 4.128 9.959 -2.410 1.00 0.00 N ATOM 200 CA GLY A 15 4.790 9.094 -1.451 1.00 0.00 C ATOM 201 C GLY A 15 5.698 8.079 -2.115 1.00 0.00 C ATOM 202 O GLY A 15 5.532 7.765 -3.293 1.00 0.00 O ATOM 0 H GLY A 15 4.470 9.878 -3.368 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.374 9.702 -0.761 1.00 0.00 H new ATOM 0 HA3 GLY A 15 4.039 8.572 -0.858 1.00 0.00 H new ATOM 206 N ASN A 16 6.663 7.565 -1.359 1.00 0.00 N ATOM 207 CA ASN A 16 7.603 6.580 -1.882 1.00 0.00 C ATOM 208 C ASN A 16 7.360 5.210 -1.257 1.00 0.00 C ATOM 209 O ASN A 16 7.268 4.202 -1.958 1.00 0.00 O ATOM 210 CB ASN A 16 9.042 7.027 -1.618 1.00 0.00 C ATOM 211 CG ASN A 16 9.352 7.128 -0.137 1.00 0.00 C ATOM 212 OD1 ASN A 16 8.576 7.693 0.635 1.00 0.00 O ATOM 213 ND2 ASN A 16 10.493 6.580 0.267 1.00 0.00 N ATOM 0 H ASN A 16 6.815 7.814 -0.382 1.00 0.00 H new ATOM 0 HA ASN A 16 7.447 6.501 -2.958 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.730 6.321 -2.083 1.00 0.00 H new ATOM 0 HB3 ASN A 16 9.211 7.995 -2.089 1.00 0.00 H new ATOM 0 HD21 ASN A 16 10.756 6.617 1.252 1.00 0.00 H new ATOM 0 HD22 ASN A 16 11.106 6.122 -0.408 1.00 0.00 H new ATOM 220 N THR A 17 7.258 5.180 0.069 1.00 0.00 N ATOM 221 CA THR A 17 7.027 3.935 0.789 1.00 0.00 C ATOM 222 C THR A 17 5.537 3.632 0.899 1.00 0.00 C ATOM 223 O THR A 17 4.703 4.536 0.845 1.00 0.00 O ATOM 224 CB THR A 17 7.635 3.984 2.204 1.00 0.00 C ATOM 225 OG1 THR A 17 8.945 4.561 2.154 1.00 0.00 O ATOM 226 CG2 THR A 17 7.713 2.590 2.808 1.00 0.00 C ATOM 0 H THR A 17 7.332 6.004 0.665 1.00 0.00 H new ATOM 0 HA THR A 17 7.515 3.144 0.219 1.00 0.00 H new ATOM 0 HB THR A 17 6.990 4.599 2.832 1.00 0.00 H new ATOM 0 HG1 THR A 17 9.324 4.590 3.057 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.145 2.650 3.807 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.712 2.164 2.871 1.00 0.00 H new ATOM 0 HG23 THR A 17 8.338 1.956 2.180 1.00 0.00 H new ATOM 234 N LEU A 18 5.209 2.354 1.055 1.00 0.00 N ATOM 235 CA LEU A 18 3.818 1.931 1.173 1.00 0.00 C ATOM 236 C LEU A 18 3.655 0.900 2.286 1.00 0.00 C ATOM 237 O LEU A 18 4.372 -0.099 2.330 1.00 0.00 O ATOM 238 CB LEU A 18 3.326 1.348 -0.153 1.00 0.00 C ATOM 239 CG LEU A 18 3.750 2.100 -1.415 1.00 0.00 C ATOM 240 CD1 LEU A 18 3.538 1.236 -2.648 1.00 0.00 C ATOM 241 CD2 LEU A 18 2.981 3.408 -1.539 1.00 0.00 C ATOM 0 H LEU A 18 5.887 1.593 1.103 1.00 0.00 H new ATOM 0 HA LEU A 18 3.218 2.806 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.682 0.321 -0.230 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.237 1.307 -0.127 1.00 0.00 H new ATOM 0 HG LEU A 18 4.812 2.331 -1.338 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.845 1.788 -3.536 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.133 0.327 -2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.483 0.973 -2.731 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.295 3.930 -2.443 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.913 3.198 -1.594 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.184 4.033 -0.669 1.00 0.00 H new ATOM 253 N TYR A 19 2.707 1.150 3.182 1.00 0.00 N ATOM 254 CA TYR A 19 2.450 0.244 4.296 1.00 0.00 C ATOM 255 C TYR A 19 1.594 -0.937 3.850 1.00 0.00 C ATOM 256 O TYR A 19 0.388 -0.802 3.641 1.00 0.00 O ATOM 257 CB TYR A 19 1.756 0.990 5.437 1.00 0.00 C ATOM 258 CG TYR A 19 1.755 0.230 6.744 1.00 0.00 C ATOM 259 CD1 TYR A 19 0.819 -0.767 6.990 1.00 0.00 C ATOM 260 CD2 TYR A 19 2.690 0.509 7.733 1.00 0.00 C ATOM 261 CE1 TYR A 19 0.814 -1.463 8.184 1.00 0.00 C ATOM 262 CE2 TYR A 19 2.694 -0.183 8.929 1.00 0.00 C ATOM 263 CZ TYR A 19 1.754 -1.168 9.149 1.00 0.00 C ATOM 264 OH TYR A 19 1.753 -1.860 10.339 1.00 0.00 O ATOM 0 H TYR A 19 2.104 1.972 3.159 1.00 0.00 H new ATOM 0 HA TYR A 19 3.408 -0.138 4.650 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.249 1.951 5.585 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.726 1.202 5.148 1.00 0.00 H new ATOM 0 HD1 TYR A 19 0.083 -1.002 6.235 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.427 1.280 7.564 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.078 -2.234 8.360 1.00 0.00 H new ATOM 0 HE2 TYR A 19 3.429 0.046 9.687 1.00 0.00 H new ATOM 0 HH TYR A 19 2.424 -2.573 10.303 1.00 0.00 H new ATOM 274 N VAL A 20 2.227 -2.098 3.708 1.00 0.00 N ATOM 275 CA VAL A 20 1.525 -3.305 3.289 1.00 0.00 C ATOM 276 C VAL A 20 1.278 -4.235 4.471 1.00 0.00 C ATOM 277 O VAL A 20 2.156 -4.435 5.311 1.00 0.00 O ATOM 278 CB VAL A 20 2.314 -4.066 2.207 1.00 0.00 C ATOM 279 CG1 VAL A 20 1.533 -5.283 1.733 1.00 0.00 C ATOM 280 CG2 VAL A 20 2.643 -3.146 1.041 1.00 0.00 C ATOM 0 H VAL A 20 3.225 -2.228 3.877 1.00 0.00 H new ATOM 0 HA VAL A 20 0.568 -2.987 2.874 1.00 0.00 H new ATOM 0 HB VAL A 20 3.251 -4.413 2.642 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.106 -5.808 0.969 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.354 -5.951 2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.579 -4.963 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.201 -3.700 0.286 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.719 -2.767 0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.246 -2.310 1.396 1.00 0.00 H new ATOM 290 N TYR A 21 0.078 -4.801 4.531 1.00 0.00 N ATOM 291 CA TYR A 21 -0.286 -5.709 5.612 1.00 0.00 C ATOM 292 C TYR A 21 -1.164 -6.846 5.096 1.00 0.00 C ATOM 293 O TYR A 21 -2.279 -6.621 4.627 1.00 0.00 O ATOM 294 CB TYR A 21 -1.016 -4.949 6.721 1.00 0.00 C ATOM 295 CG TYR A 21 -1.963 -5.812 7.524 1.00 0.00 C ATOM 296 CD1 TYR A 21 -1.570 -7.060 7.991 1.00 0.00 C ATOM 297 CD2 TYR A 21 -3.250 -5.378 7.816 1.00 0.00 C ATOM 298 CE1 TYR A 21 -2.433 -7.851 8.725 1.00 0.00 C ATOM 299 CE2 TYR A 21 -4.119 -6.162 8.551 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.706 -7.398 9.002 1.00 0.00 C ATOM 301 OH TYR A 21 -4.567 -8.183 9.734 1.00 0.00 O ATOM 0 H TYR A 21 -0.660 -4.647 3.843 1.00 0.00 H new ATOM 0 HA TYR A 21 0.631 -6.137 6.017 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.280 -4.509 7.394 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.576 -4.125 6.278 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.574 -7.418 7.777 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -3.577 -4.411 7.463 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.112 -8.819 9.080 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.116 -5.809 8.771 1.00 0.00 H new ATOM 0 HH TYR A 21 -5.423 -7.718 9.841 1.00 0.00 H new ATOM 311 N GLY A 22 -0.651 -8.069 5.188 1.00 0.00 N ATOM 312 CA GLY A 22 -1.400 -9.224 4.728 1.00 0.00 C ATOM 313 C GLY A 22 -1.512 -10.302 5.787 1.00 0.00 C ATOM 314 O GLY A 22 -1.600 -10.004 6.978 1.00 0.00 O ATOM 0 H GLY A 22 0.270 -8.281 5.573 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.399 -8.909 4.428 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -0.917 -9.637 3.843 1.00 0.00 H new ATOM 318 N GLU A 23 -1.511 -11.559 5.353 1.00 0.00 N ATOM 319 CA GLU A 23 -1.616 -12.684 6.274 1.00 0.00 C ATOM 320 C GLU A 23 -0.583 -13.757 5.942 1.00 0.00 C ATOM 321 O GLU A 23 0.402 -13.929 6.660 1.00 0.00 O ATOM 322 CB GLU A 23 -3.023 -13.283 6.225 1.00 0.00 C ATOM 323 CG GLU A 23 -4.113 -12.312 6.650 1.00 0.00 C ATOM 324 CD GLU A 23 -5.379 -13.016 7.096 1.00 0.00 C ATOM 325 OE1 GLU A 23 -5.973 -13.746 6.275 1.00 0.00 O ATOM 326 OE2 GLU A 23 -5.778 -12.837 8.266 1.00 0.00 O ATOM 0 H GLU A 23 -1.439 -11.823 4.370 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.421 -12.315 7.281 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.228 -13.625 5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -3.058 -14.161 6.871 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.742 -11.689 7.464 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.345 -11.646 5.819 1.00 0.00 H new ATOM 333 N ASP A 24 -0.817 -14.476 4.850 1.00 0.00 N ATOM 334 CA ASP A 24 0.093 -15.533 4.421 1.00 0.00 C ATOM 335 C ASP A 24 0.939 -15.074 3.238 1.00 0.00 C ATOM 336 O ASP A 24 1.041 -15.769 2.228 1.00 0.00 O ATOM 337 CB ASP A 24 -0.693 -16.790 4.044 1.00 0.00 C ATOM 338 CG ASP A 24 -1.489 -17.346 5.209 1.00 0.00 C ATOM 339 OD1 ASP A 24 -2.520 -16.738 5.566 1.00 0.00 O ATOM 340 OD2 ASP A 24 -1.080 -18.387 5.764 1.00 0.00 O ATOM 0 H ASP A 24 -1.628 -14.347 4.246 1.00 0.00 H new ATOM 0 HA ASP A 24 0.758 -15.765 5.252 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.371 -16.558 3.222 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.003 -17.552 3.683 1.00 0.00 H new ATOM 345 N MET A 25 1.544 -13.898 3.371 1.00 0.00 N ATOM 346 CA MET A 25 2.382 -13.346 2.312 1.00 0.00 C ATOM 347 C MET A 25 3.852 -13.359 2.720 1.00 0.00 C ATOM 348 O MET A 25 4.184 -13.181 3.893 1.00 0.00 O ATOM 349 CB MET A 25 1.946 -11.918 1.979 1.00 0.00 C ATOM 350 CG MET A 25 1.340 -11.177 3.159 1.00 0.00 C ATOM 351 SD MET A 25 1.570 -9.392 3.051 1.00 0.00 S ATOM 352 CE MET A 25 2.620 -9.098 4.471 1.00 0.00 C ATOM 0 H MET A 25 1.470 -13.309 4.201 1.00 0.00 H new ATOM 0 HA MET A 25 2.263 -13.970 1.426 1.00 0.00 H new ATOM 0 HB2 MET A 25 2.808 -11.360 1.614 1.00 0.00 H new ATOM 0 HB3 MET A 25 1.219 -11.949 1.168 1.00 0.00 H new ATOM 0 HG2 MET A 25 0.274 -11.399 3.214 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.790 -11.542 4.082 1.00 0.00 H new ATOM 0 HE1 MET A 25 2.026 -8.674 5.281 1.00 0.00 H new ATOM 0 HE2 MET A 25 3.061 -10.040 4.799 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.413 -8.402 4.199 1.00 0.00 H new ATOM 362 N THR A 26 4.731 -13.571 1.745 1.00 0.00 N ATOM 363 CA THR A 26 6.164 -13.608 2.003 1.00 0.00 C ATOM 364 C THR A 26 6.894 -12.531 1.209 1.00 0.00 C ATOM 365 O THR A 26 6.425 -12.067 0.170 1.00 0.00 O ATOM 366 CB THR A 26 6.763 -14.983 1.651 1.00 0.00 C ATOM 367 OG1 THR A 26 6.501 -15.294 0.278 1.00 0.00 O ATOM 368 CG2 THR A 26 6.182 -16.071 2.542 1.00 0.00 C ATOM 0 H THR A 26 4.474 -13.720 0.769 1.00 0.00 H new ATOM 0 HA THR A 26 6.298 -13.423 3.069 1.00 0.00 H new ATOM 0 HB THR A 26 7.840 -14.938 1.814 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.886 -16.169 0.061 1.00 0.00 H new ATOM 0 HG21 THR A 26 6.620 -17.033 2.275 1.00 0.00 H new ATOM 0 HG22 THR A 26 6.408 -15.847 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 26 5.101 -16.114 2.406 1.00 0.00 H new ATOM 376 N PRO A 27 8.070 -12.122 1.708 1.00 0.00 N ATOM 377 CA PRO A 27 8.891 -11.094 1.060 1.00 0.00 C ATOM 378 C PRO A 27 9.063 -11.347 -0.434 1.00 0.00 C ATOM 379 O PRO A 27 8.927 -10.434 -1.249 1.00 0.00 O ATOM 380 CB PRO A 27 10.237 -11.208 1.780 1.00 0.00 C ATOM 381 CG PRO A 27 9.903 -11.771 3.119 1.00 0.00 C ATOM 382 CD PRO A 27 8.690 -12.631 2.943 1.00 0.00 C ATOM 0 HA PRO A 27 8.437 -10.106 1.131 1.00 0.00 H new ATOM 0 HB2 PRO A 27 10.923 -11.858 1.237 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.722 -10.236 1.869 1.00 0.00 H new ATOM 0 HG2 PRO A 27 10.736 -12.355 3.510 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.709 -10.973 3.835 1.00 0.00 H new ATOM 0 HD2 PRO A 27 8.957 -13.684 2.851 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.014 -12.546 3.794 1.00 0.00 H new ATOM 390 N THR A 28 9.362 -12.593 -0.788 1.00 0.00 N ATOM 391 CA THR A 28 9.554 -12.966 -2.184 1.00 0.00 C ATOM 392 C THR A 28 8.263 -12.804 -2.979 1.00 0.00 C ATOM 393 O THR A 28 8.291 -12.528 -4.179 1.00 0.00 O ATOM 394 CB THR A 28 10.044 -14.420 -2.315 1.00 0.00 C ATOM 395 OG1 THR A 28 11.328 -14.562 -1.697 1.00 0.00 O ATOM 396 CG2 THR A 28 10.131 -14.833 -3.777 1.00 0.00 C ATOM 0 H THR A 28 9.476 -13.361 -0.127 1.00 0.00 H new ATOM 0 HA THR A 28 10.313 -12.296 -2.588 1.00 0.00 H new ATOM 0 HB THR A 28 9.326 -15.068 -1.813 1.00 0.00 H new ATOM 0 HG1 THR A 28 11.632 -15.490 -1.783 1.00 0.00 H new ATOM 0 HG21 THR A 28 10.479 -15.864 -3.844 1.00 0.00 H new ATOM 0 HG22 THR A 28 9.146 -14.752 -4.237 1.00 0.00 H new ATOM 0 HG23 THR A 28 10.830 -14.179 -4.299 1.00 0.00 H new ATOM 404 N LEU A 29 7.132 -12.976 -2.303 1.00 0.00 N ATOM 405 CA LEU A 29 5.829 -12.847 -2.946 1.00 0.00 C ATOM 406 C LEU A 29 5.534 -11.391 -3.292 1.00 0.00 C ATOM 407 O LEU A 29 5.169 -11.073 -4.425 1.00 0.00 O ATOM 408 CB LEU A 29 4.732 -13.399 -2.034 1.00 0.00 C ATOM 409 CG LEU A 29 3.403 -13.737 -2.712 1.00 0.00 C ATOM 410 CD1 LEU A 29 2.579 -14.668 -1.836 1.00 0.00 C ATOM 411 CD2 LEU A 29 2.625 -12.467 -3.023 1.00 0.00 C ATOM 0 H LEU A 29 7.091 -13.205 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 29 5.849 -13.424 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.109 -14.300 -1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.540 -12.670 -1.247 1.00 0.00 H new ATOM 0 HG LEU A 29 3.615 -14.248 -3.651 1.00 0.00 H new ATOM 0 HD11 LEU A 29 1.637 -14.898 -2.334 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.133 -15.591 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.376 -14.184 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.682 -12.727 -3.505 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.423 -11.928 -2.097 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.212 -11.835 -3.690 1.00 0.00 H new ATOM 423 N LEU A 30 5.696 -10.511 -2.311 1.00 0.00 N ATOM 424 CA LEU A 30 5.449 -9.087 -2.512 1.00 0.00 C ATOM 425 C LEU A 30 6.289 -8.546 -3.665 1.00 0.00 C ATOM 426 O LEU A 30 5.875 -7.625 -4.369 1.00 0.00 O ATOM 427 CB LEU A 30 5.759 -8.310 -1.232 1.00 0.00 C ATOM 428 CG LEU A 30 5.198 -8.898 0.063 1.00 0.00 C ATOM 429 CD1 LEU A 30 5.347 -7.909 1.208 1.00 0.00 C ATOM 430 CD2 LEU A 30 3.739 -9.291 -0.118 1.00 0.00 C ATOM 0 H LEU A 30 5.997 -10.758 -1.368 1.00 0.00 H new ATOM 0 HA LEU A 30 4.396 -8.958 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.842 -8.231 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.374 -7.296 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 30 5.768 -9.794 0.309 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.942 -8.346 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 30 6.402 -7.677 1.354 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.804 -6.994 0.971 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.356 -9.708 0.814 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.156 -8.411 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.658 -10.037 -0.909 1.00 0.00 H new ATOM 442 N ARG A 31 7.470 -9.127 -3.853 1.00 0.00 N ATOM 443 CA ARG A 31 8.368 -8.704 -4.921 1.00 0.00 C ATOM 444 C ARG A 31 7.733 -8.937 -6.289 1.00 0.00 C ATOM 445 O ARG A 31 7.896 -8.132 -7.205 1.00 0.00 O ATOM 446 CB ARG A 31 9.696 -9.457 -4.828 1.00 0.00 C ATOM 447 CG ARG A 31 10.598 -8.965 -3.708 1.00 0.00 C ATOM 448 CD ARG A 31 12.048 -9.358 -3.947 1.00 0.00 C ATOM 449 NE ARG A 31 12.894 -9.054 -2.796 1.00 0.00 N ATOM 450 CZ ARG A 31 13.246 -7.822 -2.447 1.00 0.00 C ATOM 451 NH1 ARG A 31 12.826 -6.783 -3.156 1.00 0.00 N ATOM 452 NH2 ARG A 31 14.019 -7.626 -1.387 1.00 0.00 N ATOM 0 H ARG A 31 7.827 -9.892 -3.280 1.00 0.00 H new ATOM 0 HA ARG A 31 8.555 -7.637 -4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.493 -10.518 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 31 10.225 -9.363 -5.777 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.522 -7.881 -3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 31 10.259 -9.379 -2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.103 -10.424 -4.166 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.426 -8.833 -4.824 1.00 0.00 H new ATOM 0 HE ARG A 31 13.233 -9.831 -2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 31 12.231 -6.929 -3.972 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.098 -5.838 -2.886 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.344 -8.422 -0.839 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.288 -6.679 -1.120 1.00 0.00 H new ATOM 466 N GLY A 32 7.009 -10.044 -6.419 1.00 0.00 N ATOM 467 CA GLY A 32 6.362 -10.364 -7.678 1.00 0.00 C ATOM 468 C GLY A 32 4.956 -9.805 -7.765 1.00 0.00 C ATOM 469 O GLY A 32 4.349 -9.798 -8.835 1.00 0.00 O ATOM 0 H GLY A 32 6.859 -10.725 -5.675 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.958 -9.969 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.328 -11.447 -7.801 1.00 0.00 H new ATOM 473 N ALA A 33 4.436 -9.335 -6.635 1.00 0.00 N ATOM 474 CA ALA A 33 3.093 -8.771 -6.589 1.00 0.00 C ATOM 475 C ALA A 33 3.131 -7.252 -6.724 1.00 0.00 C ATOM 476 O ALA A 33 2.202 -6.643 -7.256 1.00 0.00 O ATOM 477 CB ALA A 33 2.397 -9.171 -5.296 1.00 0.00 C ATOM 0 H ALA A 33 4.925 -9.334 -5.740 1.00 0.00 H new ATOM 0 HA ALA A 33 2.528 -9.170 -7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.395 -8.743 -5.275 1.00 0.00 H new ATOM 0 HB2 ALA A 33 2.329 -10.257 -5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 33 2.968 -8.799 -4.445 1.00 0.00 H new ATOM 483 N PHE A 34 4.209 -6.646 -6.238 1.00 0.00 N ATOM 484 CA PHE A 34 4.366 -5.198 -6.303 1.00 0.00 C ATOM 485 C PHE A 34 5.185 -4.794 -7.526 1.00 0.00 C ATOM 486 O PHE A 34 5.221 -3.623 -7.903 1.00 0.00 O ATOM 487 CB PHE A 34 5.039 -4.679 -5.031 1.00 0.00 C ATOM 488 CG PHE A 34 4.109 -4.588 -3.855 1.00 0.00 C ATOM 489 CD1 PHE A 34 3.655 -5.735 -3.225 1.00 0.00 C ATOM 490 CD2 PHE A 34 3.690 -3.356 -3.380 1.00 0.00 C ATOM 491 CE1 PHE A 34 2.798 -5.655 -2.143 1.00 0.00 C ATOM 492 CE2 PHE A 34 2.834 -3.269 -2.298 1.00 0.00 C ATOM 493 CZ PHE A 34 2.389 -4.420 -1.678 1.00 0.00 C ATOM 0 H PHE A 34 4.987 -7.135 -5.795 1.00 0.00 H new ATOM 0 HA PHE A 34 3.374 -4.754 -6.388 1.00 0.00 H new ATOM 0 HB2 PHE A 34 5.871 -5.335 -4.776 1.00 0.00 H new ATOM 0 HB3 PHE A 34 5.460 -3.693 -5.228 1.00 0.00 H new ATOM 0 HD1 PHE A 34 3.974 -6.703 -3.583 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.036 -2.453 -3.861 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.449 -6.557 -1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.514 -2.302 -1.938 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.722 -4.355 -0.831 1.00 0.00 H new ATOM 503 N SER A 35 5.840 -5.773 -8.142 1.00 0.00 N ATOM 504 CA SER A 35 6.662 -5.520 -9.319 1.00 0.00 C ATOM 505 C SER A 35 5.807 -5.026 -10.482 1.00 0.00 C ATOM 506 O SER A 35 6.144 -4.060 -11.167 1.00 0.00 O ATOM 507 CB SER A 35 7.412 -6.790 -9.727 1.00 0.00 C ATOM 508 OG SER A 35 7.584 -6.853 -11.132 1.00 0.00 O ATOM 0 H SER A 35 5.817 -6.749 -7.845 1.00 0.00 H new ATOM 0 HA SER A 35 7.385 -4.745 -9.066 1.00 0.00 H new ATOM 0 HB2 SER A 35 8.385 -6.814 -9.237 1.00 0.00 H new ATOM 0 HB3 SER A 35 6.861 -7.667 -9.385 1.00 0.00 H new ATOM 0 HG SER A 35 8.067 -7.673 -11.366 1.00 0.00 H new ATOM 514 N PRO A 36 4.673 -5.704 -10.712 1.00 0.00 N ATOM 515 CA PRO A 36 3.745 -5.352 -11.791 1.00 0.00 C ATOM 516 C PRO A 36 3.429 -3.860 -11.821 1.00 0.00 C ATOM 517 O PRO A 36 3.064 -3.314 -12.862 1.00 0.00 O ATOM 518 CB PRO A 36 2.488 -6.158 -11.455 1.00 0.00 C ATOM 519 CG PRO A 36 2.983 -7.321 -10.667 1.00 0.00 C ATOM 520 CD PRO A 36 4.208 -6.865 -9.935 1.00 0.00 C ATOM 0 HA PRO A 36 4.160 -5.574 -12.774 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.778 -5.563 -10.880 1.00 0.00 H new ATOM 0 HB3 PRO A 36 1.973 -6.483 -12.359 1.00 0.00 H new ATOM 0 HG2 PRO A 36 2.221 -7.665 -9.967 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.216 -8.160 -11.323 1.00 0.00 H new ATOM 0 HD2 PRO A 36 3.979 -6.591 -8.905 1.00 0.00 H new ATOM 0 HD3 PRO A 36 4.965 -7.648 -9.896 1.00 0.00 H new ATOM 528 N PHE A 37 3.573 -3.207 -10.673 1.00 0.00 N ATOM 529 CA PHE A 37 3.302 -1.778 -10.568 1.00 0.00 C ATOM 530 C PHE A 37 4.542 -0.962 -10.925 1.00 0.00 C ATOM 531 O PHE A 37 4.445 0.094 -11.549 1.00 0.00 O ATOM 532 CB PHE A 37 2.837 -1.428 -9.153 1.00 0.00 C ATOM 533 CG PHE A 37 1.467 -1.949 -8.827 1.00 0.00 C ATOM 534 CD1 PHE A 37 0.340 -1.187 -9.089 1.00 0.00 C ATOM 535 CD2 PHE A 37 1.305 -3.202 -8.257 1.00 0.00 C ATOM 536 CE1 PHE A 37 -0.922 -1.664 -8.789 1.00 0.00 C ATOM 537 CE2 PHE A 37 0.046 -3.685 -7.955 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.069 -2.915 -8.222 1.00 0.00 C ATOM 0 H PHE A 37 3.876 -3.644 -9.803 1.00 0.00 H new ATOM 0 HA PHE A 37 2.510 -1.531 -11.275 1.00 0.00 H new ATOM 0 HB2 PHE A 37 3.551 -1.831 -8.434 1.00 0.00 H new ATOM 0 HB3 PHE A 37 2.843 -0.344 -9.035 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.449 -0.209 -9.533 1.00 0.00 H new ATOM 0 HD2 PHE A 37 2.174 -3.808 -8.046 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.792 -1.059 -8.998 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.066 -4.663 -7.511 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.054 -3.290 -7.988 1.00 0.00 H new ATOM 548 N GLY A 38 5.707 -1.460 -10.522 1.00 0.00 N ATOM 549 CA GLY A 38 6.949 -0.765 -10.807 1.00 0.00 C ATOM 550 C GLY A 38 8.161 -1.501 -10.270 1.00 0.00 C ATOM 551 O GLY A 38 8.177 -2.730 -10.222 1.00 0.00 O ATOM 0 H GLY A 38 5.813 -2.332 -10.003 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.052 -0.639 -11.885 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.911 0.233 -10.371 1.00 0.00 H new ATOM 555 N ASN A 39 9.179 -0.747 -9.868 1.00 0.00 N ATOM 556 CA ASN A 39 10.402 -1.336 -9.335 1.00 0.00 C ATOM 557 C ASN A 39 10.464 -1.181 -7.819 1.00 0.00 C ATOM 558 O ASN A 39 10.075 -0.147 -7.274 1.00 0.00 O ATOM 559 CB ASN A 39 11.628 -0.683 -9.976 1.00 0.00 C ATOM 560 CG ASN A 39 12.930 -1.214 -9.408 1.00 0.00 C ATOM 561 OD1 ASN A 39 13.133 -2.425 -9.319 1.00 0.00 O ATOM 562 ND2 ASN A 39 13.819 -0.308 -9.019 1.00 0.00 N ATOM 0 H ASN A 39 9.181 0.272 -9.901 1.00 0.00 H new ATOM 0 HA ASN A 39 10.398 -2.399 -9.574 1.00 0.00 H new ATOM 0 HB2 ASN A 39 11.607 -0.856 -11.052 1.00 0.00 H new ATOM 0 HB3 ASN A 39 11.582 0.396 -9.825 1.00 0.00 H new ATOM 0 HD21 ASN A 39 14.713 -0.606 -8.628 1.00 0.00 H new ATOM 0 HD22 ASN A 39 13.608 0.686 -9.111 1.00 0.00 H new ATOM 569 N ILE A 40 10.956 -2.214 -7.144 1.00 0.00 N ATOM 570 CA ILE A 40 11.070 -2.192 -5.691 1.00 0.00 C ATOM 571 C ILE A 40 12.511 -1.941 -5.257 1.00 0.00 C ATOM 572 O ILE A 40 13.396 -2.760 -5.506 1.00 0.00 O ATOM 573 CB ILE A 40 10.581 -3.513 -5.067 1.00 0.00 C ATOM 574 CG1 ILE A 40 9.149 -3.814 -5.516 1.00 0.00 C ATOM 575 CG2 ILE A 40 10.663 -3.444 -3.550 1.00 0.00 C ATOM 576 CD1 ILE A 40 8.704 -5.226 -5.209 1.00 0.00 C ATOM 0 H ILE A 40 11.282 -3.077 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 40 10.438 -1.377 -5.337 1.00 0.00 H new ATOM 0 HB ILE A 40 11.227 -4.321 -5.409 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.470 -3.114 -5.030 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.070 -3.642 -6.589 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.314 -4.385 -3.124 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.696 -3.270 -3.249 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.038 -2.628 -3.189 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.680 -5.368 -5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 40 9.360 -5.933 -5.717 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.751 -5.396 -4.133 1.00 0.00 H new ATOM 588 N ILE A 41 12.737 -0.806 -4.605 1.00 0.00 N ATOM 589 CA ILE A 41 14.069 -0.449 -4.133 1.00 0.00 C ATOM 590 C ILE A 41 14.209 -0.704 -2.636 1.00 0.00 C ATOM 591 O ILE A 41 15.313 -0.908 -2.132 1.00 0.00 O ATOM 592 CB ILE A 41 14.392 1.029 -4.423 1.00 0.00 C ATOM 593 CG1 ILE A 41 13.215 1.919 -4.017 1.00 0.00 C ATOM 594 CG2 ILE A 41 14.724 1.220 -5.895 1.00 0.00 C ATOM 595 CD1 ILE A 41 13.490 3.397 -4.185 1.00 0.00 C ATOM 0 H ILE A 41 12.015 -0.118 -4.391 1.00 0.00 H new ATOM 0 HA ILE A 41 14.775 -1.080 -4.674 1.00 0.00 H new ATOM 0 HB ILE A 41 15.263 1.318 -3.834 1.00 0.00 H new ATOM 0 HG12 ILE A 41 12.343 1.650 -4.614 1.00 0.00 H new ATOM 0 HG13 ILE A 41 12.962 1.721 -2.975 1.00 0.00 H new ATOM 0 HG21 ILE A 41 14.950 2.269 -6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 41 15.589 0.610 -6.155 1.00 0.00 H new ATOM 0 HG23 ILE A 41 13.871 0.917 -6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.613 3.967 -3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 41 14.342 3.681 -3.567 1.00 0.00 H new ATOM 0 HD13 ILE A 41 13.713 3.609 -5.231 1.00 0.00 H new ATOM 607 N ASP A 42 13.083 -0.693 -1.932 1.00 0.00 N ATOM 608 CA ASP A 42 13.079 -0.926 -0.493 1.00 0.00 C ATOM 609 C ASP A 42 11.878 -1.774 -0.083 1.00 0.00 C ATOM 610 O ASP A 42 10.745 -1.293 -0.058 1.00 0.00 O ATOM 611 CB ASP A 42 13.060 0.405 0.261 1.00 0.00 C ATOM 612 CG ASP A 42 13.705 0.304 1.629 1.00 0.00 C ATOM 613 OD1 ASP A 42 13.397 -0.659 2.362 1.00 0.00 O ATOM 614 OD2 ASP A 42 14.520 1.188 1.967 1.00 0.00 O ATOM 0 H ASP A 42 12.161 -0.525 -2.335 1.00 0.00 H new ATOM 0 HA ASP A 42 13.989 -1.468 -0.235 1.00 0.00 H new ATOM 0 HB2 ASP A 42 13.580 1.160 -0.328 1.00 0.00 H new ATOM 0 HB3 ASP A 42 12.029 0.742 0.372 1.00 0.00 H new ATOM 619 N LEU A 43 12.135 -3.037 0.237 1.00 0.00 N ATOM 620 CA LEU A 43 11.075 -3.953 0.645 1.00 0.00 C ATOM 621 C LEU A 43 11.450 -4.681 1.932 1.00 0.00 C ATOM 622 O LEU A 43 12.331 -5.540 1.937 1.00 0.00 O ATOM 623 CB LEU A 43 10.796 -4.968 -0.465 1.00 0.00 C ATOM 624 CG LEU A 43 9.999 -6.207 -0.056 1.00 0.00 C ATOM 625 CD1 LEU A 43 8.728 -5.807 0.677 1.00 0.00 C ATOM 626 CD2 LEU A 43 9.668 -7.055 -1.276 1.00 0.00 C ATOM 0 H LEU A 43 13.067 -3.450 0.222 1.00 0.00 H new ATOM 0 HA LEU A 43 10.174 -3.368 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 43 10.257 -4.462 -1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.750 -5.294 -0.880 1.00 0.00 H new ATOM 0 HG LEU A 43 10.612 -6.802 0.621 1.00 0.00 H new ATOM 0 HD11 LEU A 43 8.174 -6.702 0.960 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.987 -5.242 1.573 1.00 0.00 H new ATOM 0 HD13 LEU A 43 8.111 -5.190 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 43 9.101 -7.933 -0.966 1.00 0.00 H new ATOM 0 HD22 LEU A 43 9.074 -6.468 -1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 43 10.592 -7.372 -1.760 1.00 0.00 H new ATOM 638 N SER A 44 10.773 -4.332 3.022 1.00 0.00 N ATOM 639 CA SER A 44 11.036 -4.951 4.316 1.00 0.00 C ATOM 640 C SER A 44 9.788 -5.647 4.849 1.00 0.00 C ATOM 641 O SER A 44 8.665 -5.211 4.596 1.00 0.00 O ATOM 642 CB SER A 44 11.516 -3.900 5.319 1.00 0.00 C ATOM 643 OG SER A 44 12.925 -3.755 5.272 1.00 0.00 O ATOM 0 H SER A 44 10.039 -3.624 3.034 1.00 0.00 H new ATOM 0 HA SER A 44 11.818 -5.699 4.182 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.042 -2.943 5.102 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.210 -4.187 6.325 1.00 0.00 H new ATOM 0 HG SER A 44 13.206 -3.077 5.921 1.00 0.00 H new ATOM 649 N MET A 45 9.993 -6.731 5.589 1.00 0.00 N ATOM 650 CA MET A 45 8.885 -7.488 6.159 1.00 0.00 C ATOM 651 C MET A 45 9.057 -7.653 7.666 1.00 0.00 C ATOM 652 O MET A 45 10.161 -7.906 8.149 1.00 0.00 O ATOM 653 CB MET A 45 8.780 -8.861 5.493 1.00 0.00 C ATOM 654 CG MET A 45 7.865 -8.879 4.279 1.00 0.00 C ATOM 655 SD MET A 45 6.156 -9.270 4.703 1.00 0.00 S ATOM 656 CE MET A 45 5.757 -10.467 3.432 1.00 0.00 C ATOM 0 H MET A 45 10.916 -7.105 5.808 1.00 0.00 H new ATOM 0 HA MET A 45 7.966 -6.932 5.975 1.00 0.00 H new ATOM 0 HB2 MET A 45 9.776 -9.187 5.192 1.00 0.00 H new ATOM 0 HB3 MET A 45 8.415 -9.583 6.223 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.900 -7.906 3.788 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.234 -9.612 3.561 1.00 0.00 H new ATOM 0 HE1 MET A 45 4.687 -10.438 3.228 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.307 -10.228 2.522 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.034 -11.465 3.772 1.00 0.00 H new ATOM 666 N ASP A 46 7.961 -7.509 8.402 1.00 0.00 N ATOM 667 CA ASP A 46 7.992 -7.643 9.854 1.00 0.00 C ATOM 668 C ASP A 46 7.003 -8.706 10.322 1.00 0.00 C ATOM 669 O ASP A 46 5.814 -8.446 10.506 1.00 0.00 O ATOM 670 CB ASP A 46 7.670 -6.303 10.518 1.00 0.00 C ATOM 671 CG ASP A 46 8.894 -5.419 10.660 1.00 0.00 C ATOM 672 OD1 ASP A 46 9.477 -5.040 9.622 1.00 0.00 O ATOM 673 OD2 ASP A 46 9.269 -5.106 11.809 1.00 0.00 O ATOM 0 H ASP A 46 7.040 -7.299 8.017 1.00 0.00 H new ATOM 0 HA ASP A 46 8.996 -7.952 10.145 1.00 0.00 H new ATOM 0 HB2 ASP A 46 6.915 -5.781 9.930 1.00 0.00 H new ATOM 0 HB3 ASP A 46 7.239 -6.483 11.503 1.00 0.00 H new ATOM 678 N PRO A 47 7.505 -9.935 10.519 1.00 0.00 N ATOM 679 CA PRO A 47 6.683 -11.063 10.968 1.00 0.00 C ATOM 680 C PRO A 47 5.808 -10.702 12.163 1.00 0.00 C ATOM 681 O PRO A 47 4.629 -11.053 12.228 1.00 0.00 O ATOM 682 CB PRO A 47 7.718 -12.120 11.362 1.00 0.00 C ATOM 683 CG PRO A 47 8.920 -11.798 10.544 1.00 0.00 C ATOM 684 CD PRO A 47 8.913 -10.317 10.320 1.00 0.00 C ATOM 0 HA PRO A 47 5.988 -11.394 10.197 1.00 0.00 H new ATOM 0 HB2 PRO A 47 7.942 -12.077 12.428 1.00 0.00 H new ATOM 0 HB3 PRO A 47 7.355 -13.126 11.153 1.00 0.00 H new ATOM 0 HG2 PRO A 47 9.830 -12.106 11.058 1.00 0.00 H new ATOM 0 HG3 PRO A 47 8.894 -12.332 9.594 1.00 0.00 H new ATOM 0 HD2 PRO A 47 9.569 -9.804 11.023 1.00 0.00 H new ATOM 0 HD3 PRO A 47 9.258 -10.063 9.318 1.00 0.00 H new ATOM 692 N PRO A 48 6.394 -9.986 13.133 1.00 0.00 N ATOM 693 CA PRO A 48 5.685 -9.562 14.344 1.00 0.00 C ATOM 694 C PRO A 48 4.331 -8.933 14.032 1.00 0.00 C ATOM 695 O PRO A 48 3.305 -9.343 14.575 1.00 0.00 O ATOM 696 CB PRO A 48 6.626 -8.525 14.962 1.00 0.00 C ATOM 697 CG PRO A 48 7.980 -8.901 14.468 1.00 0.00 C ATOM 698 CD PRO A 48 7.796 -9.533 13.123 1.00 0.00 C ATOM 0 HA PRO A 48 5.464 -10.402 15.002 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.359 -7.514 14.654 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.581 -8.549 16.051 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.622 -8.023 14.397 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.463 -9.594 15.157 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.980 -8.821 12.318 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.484 -10.366 12.975 1.00 0.00 H new ATOM 706 N ARG A 49 4.335 -7.935 13.154 1.00 0.00 N ATOM 707 CA ARG A 49 3.107 -7.250 12.770 1.00 0.00 C ATOM 708 C ARG A 49 2.604 -7.749 11.419 1.00 0.00 C ATOM 709 O ARG A 49 1.708 -7.156 10.821 1.00 0.00 O ATOM 710 CB ARG A 49 3.338 -5.738 12.713 1.00 0.00 C ATOM 711 CG ARG A 49 3.310 -5.066 14.076 1.00 0.00 C ATOM 712 CD ARG A 49 1.899 -5.011 14.641 1.00 0.00 C ATOM 713 NE ARG A 49 1.161 -3.846 14.160 1.00 0.00 N ATOM 714 CZ ARG A 49 -0.158 -3.721 14.255 1.00 0.00 C ATOM 715 NH1 ARG A 49 -0.880 -4.684 14.810 1.00 0.00 N ATOM 716 NH2 ARG A 49 -0.756 -2.630 13.794 1.00 0.00 N ATOM 0 H ARG A 49 5.175 -7.583 12.695 1.00 0.00 H new ATOM 0 HA ARG A 49 2.349 -7.468 13.523 1.00 0.00 H new ATOM 0 HB2 ARG A 49 4.301 -5.544 12.241 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.575 -5.286 12.079 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.958 -5.609 14.764 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.710 -4.055 13.993 1.00 0.00 H new ATOM 0 HD2 ARG A 49 1.363 -5.919 14.365 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.945 -4.986 15.730 1.00 0.00 H new ATOM 0 HE ARG A 49 1.687 -3.087 13.727 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.423 -5.524 15.165 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -1.893 -4.585 14.882 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.203 -1.887 13.367 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -1.769 -2.534 13.867 1.00 0.00 H new ATOM 730 N ASN A 50 3.189 -8.844 10.944 1.00 0.00 N ATOM 731 CA ASN A 50 2.801 -9.423 9.663 1.00 0.00 C ATOM 732 C ASN A 50 2.579 -8.334 8.619 1.00 0.00 C ATOM 733 O ASN A 50 1.689 -8.441 7.774 1.00 0.00 O ATOM 734 CB ASN A 50 1.530 -10.260 9.822 1.00 0.00 C ATOM 735 CG ASN A 50 1.665 -11.319 10.898 1.00 0.00 C ATOM 736 OD1 ASN A 50 1.457 -11.049 12.081 1.00 0.00 O ATOM 737 ND2 ASN A 50 2.017 -12.534 10.492 1.00 0.00 N ATOM 0 H ASN A 50 3.933 -9.348 11.427 1.00 0.00 H new ATOM 0 HA ASN A 50 3.612 -10.067 9.323 1.00 0.00 H new ATOM 0 HB2 ASN A 50 0.694 -9.604 10.065 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.293 -10.739 8.872 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.125 -13.287 11.171 1.00 0.00 H new ATOM 0 HD22 ASN A 50 2.180 -12.713 9.501 1.00 0.00 H new ATOM 744 N CYS A 51 3.395 -7.287 8.682 1.00 0.00 N ATOM 745 CA CYS A 51 3.288 -6.177 7.741 1.00 0.00 C ATOM 746 C CYS A 51 4.560 -6.045 6.910 1.00 0.00 C ATOM 747 O CYS A 51 5.484 -6.847 7.039 1.00 0.00 O ATOM 748 CB CYS A 51 3.015 -4.872 8.490 1.00 0.00 C ATOM 749 SG CYS A 51 4.428 -4.252 9.433 1.00 0.00 S ATOM 0 H CYS A 51 4.137 -7.184 9.374 1.00 0.00 H new ATOM 0 HA CYS A 51 2.456 -6.382 7.068 1.00 0.00 H new ATOM 0 HB2 CYS A 51 2.709 -4.111 7.772 1.00 0.00 H new ATOM 0 HB3 CYS A 51 2.177 -5.024 9.170 1.00 0.00 H new ATOM 0 HG CYS A 51 4.916 -3.201 8.844 1.00 0.00 H new ATOM 755 N ALA A 52 4.598 -5.028 6.055 1.00 0.00 N ATOM 756 CA ALA A 52 5.757 -4.790 5.203 1.00 0.00 C ATOM 757 C ALA A 52 5.755 -3.365 4.659 1.00 0.00 C ATOM 758 O ALA A 52 4.729 -2.684 4.677 1.00 0.00 O ATOM 759 CB ALA A 52 5.785 -5.793 4.059 1.00 0.00 C ATOM 0 H ALA A 52 3.840 -4.356 5.934 1.00 0.00 H new ATOM 0 HA ALA A 52 6.655 -4.919 5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.655 -5.604 3.431 1.00 0.00 H new ATOM 0 HB2 ALA A 52 5.842 -6.804 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.878 -5.691 3.463 1.00 0.00 H new ATOM 765 N PHE A 53 6.910 -2.920 4.177 1.00 0.00 N ATOM 766 CA PHE A 53 7.042 -1.575 3.629 1.00 0.00 C ATOM 767 C PHE A 53 7.727 -1.607 2.266 1.00 0.00 C ATOM 768 O PHE A 53 8.952 -1.696 2.175 1.00 0.00 O ATOM 769 CB PHE A 53 7.835 -0.686 4.589 1.00 0.00 C ATOM 770 CG PHE A 53 7.440 -0.856 6.029 1.00 0.00 C ATOM 771 CD1 PHE A 53 6.311 -0.229 6.530 1.00 0.00 C ATOM 772 CD2 PHE A 53 8.198 -1.644 6.880 1.00 0.00 C ATOM 773 CE1 PHE A 53 5.944 -0.384 7.853 1.00 0.00 C ATOM 774 CE2 PHE A 53 7.836 -1.803 8.205 1.00 0.00 C ATOM 775 CZ PHE A 53 6.708 -1.171 8.692 1.00 0.00 C ATOM 0 H PHE A 53 7.768 -3.471 4.155 1.00 0.00 H new ATOM 0 HA PHE A 53 6.041 -1.162 3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.897 -0.908 4.483 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.697 0.357 4.303 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.710 0.388 5.879 1.00 0.00 H new ATOM 0 HD2 PHE A 53 9.081 -2.139 6.504 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.061 0.110 8.230 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.434 -2.421 8.859 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.424 -1.292 9.727 1.00 0.00 H new ATOM 785 N VAL A 54 6.927 -1.535 1.207 1.00 0.00 N ATOM 786 CA VAL A 54 7.455 -1.556 -0.153 1.00 0.00 C ATOM 787 C VAL A 54 7.631 -0.142 -0.695 1.00 0.00 C ATOM 788 O VAL A 54 6.704 0.668 -0.661 1.00 0.00 O ATOM 789 CB VAL A 54 6.533 -2.347 -1.100 1.00 0.00 C ATOM 790 CG1 VAL A 54 7.123 -2.394 -2.502 1.00 0.00 C ATOM 791 CG2 VAL A 54 6.297 -3.750 -0.564 1.00 0.00 C ATOM 0 H VAL A 54 5.911 -1.462 1.264 1.00 0.00 H new ATOM 0 HA VAL A 54 8.426 -2.048 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 54 5.571 -1.837 -1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 54 6.459 -2.957 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.235 -1.379 -2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 54 8.098 -2.880 -2.470 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.644 -4.295 -1.245 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.250 -4.272 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.828 -3.690 0.418 1.00 0.00 H new ATOM 801 N THR A 55 8.827 0.149 -1.196 1.00 0.00 N ATOM 802 CA THR A 55 9.126 1.465 -1.746 1.00 0.00 C ATOM 803 C THR A 55 9.251 1.411 -3.264 1.00 0.00 C ATOM 804 O THR A 55 9.820 0.469 -3.817 1.00 0.00 O ATOM 805 CB THR A 55 10.427 2.039 -1.155 1.00 0.00 C ATOM 806 OG1 THR A 55 10.307 2.163 0.267 1.00 0.00 O ATOM 807 CG2 THR A 55 10.746 3.397 -1.763 1.00 0.00 C ATOM 0 H THR A 55 9.605 -0.510 -1.232 1.00 0.00 H new ATOM 0 HA THR A 55 8.295 2.116 -1.476 1.00 0.00 H new ATOM 0 HB THR A 55 11.240 1.353 -1.392 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.849 3.002 0.485 1.00 0.00 H new ATOM 0 HG21 THR A 55 11.669 3.782 -1.330 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.867 3.294 -2.841 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.931 4.090 -1.554 1.00 0.00 H new ATOM 815 N TYR A 56 8.719 2.428 -3.934 1.00 0.00 N ATOM 816 CA TYR A 56 8.770 2.495 -5.389 1.00 0.00 C ATOM 817 C TYR A 56 9.741 3.577 -5.851 1.00 0.00 C ATOM 818 O TYR A 56 9.833 4.643 -5.243 1.00 0.00 O ATOM 819 CB TYR A 56 7.377 2.768 -5.958 1.00 0.00 C ATOM 820 CG TYR A 56 6.489 1.545 -5.999 1.00 0.00 C ATOM 821 CD1 TYR A 56 6.945 0.350 -6.542 1.00 0.00 C ATOM 822 CD2 TYR A 56 5.194 1.584 -5.496 1.00 0.00 C ATOM 823 CE1 TYR A 56 6.137 -0.770 -6.582 1.00 0.00 C ATOM 824 CE2 TYR A 56 4.380 0.469 -5.531 1.00 0.00 C ATOM 825 CZ TYR A 56 4.856 -0.706 -6.075 1.00 0.00 C ATOM 826 OH TYR A 56 4.048 -1.819 -6.113 1.00 0.00 O ATOM 0 H TYR A 56 8.248 3.217 -3.492 1.00 0.00 H new ATOM 0 HA TYR A 56 9.124 1.533 -5.759 1.00 0.00 H new ATOM 0 HB2 TYR A 56 6.893 3.538 -5.357 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.478 3.167 -6.967 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.948 0.296 -6.939 1.00 0.00 H new ATOM 0 HD2 TYR A 56 4.818 2.502 -5.070 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.507 -1.691 -7.008 1.00 0.00 H new ATOM 0 HE2 TYR A 56 3.376 0.517 -5.135 1.00 0.00 H new ATOM 0 HH TYR A 56 4.445 -2.492 -6.705 1.00 0.00 H new ATOM 836 N GLU A 57 10.463 3.294 -6.930 1.00 0.00 N ATOM 837 CA GLU A 57 11.428 4.243 -7.474 1.00 0.00 C ATOM 838 C GLU A 57 10.732 5.518 -7.942 1.00 0.00 C ATOM 839 O GLU A 57 11.352 6.577 -8.041 1.00 0.00 O ATOM 840 CB GLU A 57 12.197 3.613 -8.636 1.00 0.00 C ATOM 841 CG GLU A 57 13.403 4.425 -9.080 1.00 0.00 C ATOM 842 CD GLU A 57 14.643 4.121 -8.262 1.00 0.00 C ATOM 843 OE1 GLU A 57 15.341 3.137 -8.586 1.00 0.00 O ATOM 844 OE2 GLU A 57 14.917 4.867 -7.298 1.00 0.00 O ATOM 0 H GLU A 57 10.398 2.416 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 57 12.130 4.502 -6.682 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.528 2.617 -8.344 1.00 0.00 H new ATOM 0 HB3 GLU A 57 11.522 3.489 -9.483 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.607 4.221 -10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.171 5.487 -9.000 1.00 0.00 H new ATOM 851 N LYS A 58 9.440 5.408 -8.231 1.00 0.00 N ATOM 852 CA LYS A 58 8.657 6.550 -8.688 1.00 0.00 C ATOM 853 C LYS A 58 7.351 6.662 -7.909 1.00 0.00 C ATOM 854 O LYS A 58 6.448 5.841 -8.070 1.00 0.00 O ATOM 855 CB LYS A 58 8.361 6.425 -10.185 1.00 0.00 C ATOM 856 CG LYS A 58 9.585 6.608 -11.065 1.00 0.00 C ATOM 857 CD LYS A 58 9.216 7.187 -12.420 1.00 0.00 C ATOM 858 CE LYS A 58 10.432 7.766 -13.128 1.00 0.00 C ATOM 859 NZ LYS A 58 10.055 8.497 -14.370 1.00 0.00 N ATOM 0 H LYS A 58 8.912 4.538 -8.157 1.00 0.00 H new ATOM 0 HA LYS A 58 9.242 7.453 -8.513 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.927 5.444 -10.380 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.611 7.166 -10.462 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.296 7.268 -10.568 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.083 5.648 -11.202 1.00 0.00 H new ATOM 0 HD2 LYS A 58 8.769 6.410 -13.040 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.463 7.965 -12.292 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.957 8.443 -12.454 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.125 6.962 -13.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.911 8.876 -14.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.577 7.846 -15.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 9.414 9.280 -14.131 1.00 0.00 H new ATOM 873 N MET A 59 7.257 7.684 -7.064 1.00 0.00 N ATOM 874 CA MET A 59 6.060 7.904 -6.261 1.00 0.00 C ATOM 875 C MET A 59 4.806 7.508 -7.035 1.00 0.00 C ATOM 876 O MET A 59 3.862 6.964 -6.465 1.00 0.00 O ATOM 877 CB MET A 59 5.968 9.371 -5.835 1.00 0.00 C ATOM 878 CG MET A 59 5.962 10.344 -7.003 1.00 0.00 C ATOM 879 SD MET A 59 7.619 10.696 -7.623 1.00 0.00 S ATOM 880 CE MET A 59 7.488 10.089 -9.302 1.00 0.00 C ATOM 0 H MET A 59 7.995 8.372 -6.918 1.00 0.00 H new ATOM 0 HA MET A 59 6.130 7.278 -5.371 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.060 9.514 -5.249 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.809 9.605 -5.182 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.356 9.933 -7.810 1.00 0.00 H new ATOM 0 HG3 MET A 59 5.489 11.276 -6.692 1.00 0.00 H new ATOM 0 HE1 MET A 59 8.341 10.439 -9.883 1.00 0.00 H new ATOM 0 HE2 MET A 59 7.476 8.999 -9.295 1.00 0.00 H new ATOM 0 HE3 MET A 59 6.567 10.459 -9.752 1.00 0.00 H new ATOM 890 N GLU A 60 4.806 7.786 -8.335 1.00 0.00 N ATOM 891 CA GLU A 60 3.667 7.459 -9.185 1.00 0.00 C ATOM 892 C GLU A 60 3.040 6.132 -8.768 1.00 0.00 C ATOM 893 O GLU A 60 1.821 6.021 -8.642 1.00 0.00 O ATOM 894 CB GLU A 60 4.100 7.392 -10.651 1.00 0.00 C ATOM 895 CG GLU A 60 4.977 8.556 -11.081 1.00 0.00 C ATOM 896 CD GLU A 60 4.882 8.840 -12.567 1.00 0.00 C ATOM 897 OE1 GLU A 60 4.710 7.879 -13.346 1.00 0.00 O ATOM 898 OE2 GLU A 60 4.981 10.025 -12.952 1.00 0.00 O ATOM 0 H GLU A 60 5.581 8.236 -8.822 1.00 0.00 H new ATOM 0 HA GLU A 60 2.922 8.246 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.640 6.460 -10.819 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.212 7.365 -11.282 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.688 9.448 -10.525 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.013 8.340 -10.822 1.00 0.00 H new ATOM 905 N SER A 61 3.884 5.126 -8.554 1.00 0.00 N ATOM 906 CA SER A 61 3.413 3.805 -8.156 1.00 0.00 C ATOM 907 C SER A 61 2.752 3.856 -6.781 1.00 0.00 C ATOM 908 O SER A 61 1.675 3.298 -6.577 1.00 0.00 O ATOM 909 CB SER A 61 4.574 2.810 -8.139 1.00 0.00 C ATOM 910 OG SER A 61 5.026 2.532 -9.453 1.00 0.00 O ATOM 0 H SER A 61 4.897 5.202 -8.650 1.00 0.00 H new ATOM 0 HA SER A 61 2.672 3.476 -8.885 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.395 3.214 -7.546 1.00 0.00 H new ATOM 0 HB3 SER A 61 4.258 1.885 -7.656 1.00 0.00 H new ATOM 0 HG SER A 61 5.769 1.895 -9.415 1.00 0.00 H new ATOM 916 N ALA A 62 3.408 4.530 -5.842 1.00 0.00 N ATOM 917 CA ALA A 62 2.885 4.656 -4.487 1.00 0.00 C ATOM 918 C ALA A 62 1.364 4.768 -4.494 1.00 0.00 C ATOM 919 O ALA A 62 0.669 3.945 -3.897 1.00 0.00 O ATOM 920 CB ALA A 62 3.501 5.862 -3.793 1.00 0.00 C ATOM 0 H ALA A 62 4.302 4.997 -5.995 1.00 0.00 H new ATOM 0 HA ALA A 62 3.155 3.756 -3.935 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.101 5.944 -2.782 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.583 5.742 -3.747 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.260 6.766 -4.352 1.00 0.00 H new ATOM 926 N ASP A 63 0.853 5.790 -5.171 1.00 0.00 N ATOM 927 CA ASP A 63 -0.586 6.009 -5.255 1.00 0.00 C ATOM 928 C ASP A 63 -1.267 4.866 -6.001 1.00 0.00 C ATOM 929 O ASP A 63 -2.303 4.362 -5.570 1.00 0.00 O ATOM 930 CB ASP A 63 -0.881 7.338 -5.954 1.00 0.00 C ATOM 931 CG ASP A 63 -2.250 7.357 -6.606 1.00 0.00 C ATOM 932 OD1 ASP A 63 -3.258 7.372 -5.869 1.00 0.00 O ATOM 933 OD2 ASP A 63 -2.312 7.358 -7.853 1.00 0.00 O ATOM 0 H ASP A 63 1.414 6.480 -5.670 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.983 6.045 -4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.816 8.149 -5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.119 7.525 -6.710 1.00 0.00 H new ATOM 938 N GLN A 64 -0.677 4.463 -7.122 1.00 0.00 N ATOM 939 CA GLN A 64 -1.228 3.381 -7.928 1.00 0.00 C ATOM 940 C GLN A 64 -1.431 2.125 -7.087 1.00 0.00 C ATOM 941 O GLN A 64 -2.562 1.702 -6.849 1.00 0.00 O ATOM 942 CB GLN A 64 -0.304 3.074 -9.109 1.00 0.00 C ATOM 943 CG GLN A 64 -0.445 4.055 -10.262 1.00 0.00 C ATOM 944 CD GLN A 64 -0.124 3.427 -11.604 1.00 0.00 C ATOM 945 OE1 GLN A 64 0.958 2.873 -11.800 1.00 0.00 O ATOM 946 NE2 GLN A 64 -1.065 3.511 -12.537 1.00 0.00 N ATOM 0 H GLN A 64 0.182 4.870 -7.492 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.197 3.703 -8.308 1.00 0.00 H new ATOM 0 HB2 GLN A 64 0.729 3.080 -8.762 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -0.513 2.068 -9.471 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -1.463 4.444 -10.281 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.217 4.904 -10.095 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.947 3.979 -12.331 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -0.906 3.107 -13.460 1.00 0.00 H new ATOM 955 N ALA A 65 -0.328 1.532 -6.641 1.00 0.00 N ATOM 956 CA ALA A 65 -0.386 0.326 -5.825 1.00 0.00 C ATOM 957 C ALA A 65 -1.427 0.460 -4.719 1.00 0.00 C ATOM 958 O ALA A 65 -2.360 -0.338 -4.630 1.00 0.00 O ATOM 959 CB ALA A 65 0.982 0.024 -5.231 1.00 0.00 C ATOM 0 H ALA A 65 0.616 1.868 -6.831 1.00 0.00 H new ATOM 0 HA ALA A 65 -0.682 -0.503 -6.468 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.924 -0.879 -4.624 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.703 -0.125 -6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 65 1.301 0.860 -4.608 1.00 0.00 H new ATOM 965 N VAL A 66 -1.261 1.475 -3.877 1.00 0.00 N ATOM 966 CA VAL A 66 -2.187 1.714 -2.776 1.00 0.00 C ATOM 967 C VAL A 66 -3.623 1.814 -3.278 1.00 0.00 C ATOM 968 O VAL A 66 -4.572 1.680 -2.506 1.00 0.00 O ATOM 969 CB VAL A 66 -1.831 3.003 -2.012 1.00 0.00 C ATOM 970 CG1 VAL A 66 -3.028 3.502 -1.218 1.00 0.00 C ATOM 971 CG2 VAL A 66 -0.635 2.769 -1.101 1.00 0.00 C ATOM 0 H VAL A 66 -0.494 2.145 -3.936 1.00 0.00 H new ATOM 0 HA VAL A 66 -2.100 0.864 -2.099 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.562 3.771 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.757 4.413 -0.685 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.854 3.711 -1.898 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.333 2.739 -0.501 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.397 3.690 -0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.873 1.986 -0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.224 2.463 -1.699 1.00 0.00 H new ATOM 981 N ALA A 67 -3.775 2.051 -4.577 1.00 0.00 N ATOM 982 CA ALA A 67 -5.096 2.167 -5.183 1.00 0.00 C ATOM 983 C ALA A 67 -5.606 0.808 -5.650 1.00 0.00 C ATOM 984 O ALA A 67 -6.798 0.518 -5.557 1.00 0.00 O ATOM 985 CB ALA A 67 -5.059 3.148 -6.345 1.00 0.00 C ATOM 0 H ALA A 67 -3.000 2.166 -5.230 1.00 0.00 H new ATOM 0 HA ALA A 67 -5.785 2.544 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.052 3.225 -6.788 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.746 4.128 -5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.353 2.795 -7.097 1.00 0.00 H new ATOM 991 N GLU A 68 -4.696 -0.019 -6.154 1.00 0.00 N ATOM 992 CA GLU A 68 -5.056 -1.347 -6.637 1.00 0.00 C ATOM 993 C GLU A 68 -4.770 -2.408 -5.578 1.00 0.00 C ATOM 994 O GLU A 68 -5.669 -3.136 -5.154 1.00 0.00 O ATOM 995 CB GLU A 68 -4.289 -1.672 -7.921 1.00 0.00 C ATOM 996 CG GLU A 68 -4.518 -0.668 -9.038 1.00 0.00 C ATOM 997 CD GLU A 68 -5.821 -0.904 -9.777 1.00 0.00 C ATOM 998 OE1 GLU A 68 -5.841 -1.759 -10.687 1.00 0.00 O ATOM 999 OE2 GLU A 68 -6.821 -0.234 -9.444 1.00 0.00 O ATOM 0 H GLU A 68 -3.705 0.207 -6.239 1.00 0.00 H new ATOM 0 HA GLU A 68 -6.125 -1.351 -6.850 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.223 -1.716 -7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.582 -2.663 -8.269 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -4.518 0.339 -8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.689 -0.721 -9.744 1.00 0.00 H new ATOM 1006 N LEU A 69 -3.514 -2.490 -5.156 1.00 0.00 N ATOM 1007 CA LEU A 69 -3.107 -3.462 -4.146 1.00 0.00 C ATOM 1008 C LEU A 69 -3.948 -3.317 -2.882 1.00 0.00 C ATOM 1009 O LEU A 69 -4.001 -4.224 -2.053 1.00 0.00 O ATOM 1010 CB LEU A 69 -1.625 -3.287 -3.810 1.00 0.00 C ATOM 1011 CG LEU A 69 -0.635 -3.821 -4.845 1.00 0.00 C ATOM 1012 CD1 LEU A 69 0.760 -3.922 -4.247 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -1.090 -5.174 -5.372 1.00 0.00 C ATOM 0 H LEU A 69 -2.759 -1.895 -5.497 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.265 -4.461 -4.553 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -1.429 -2.225 -3.664 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.428 -3.782 -2.859 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.601 -3.122 -5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.451 -4.304 -4.998 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.088 -2.935 -3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.742 -4.599 -3.393 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.373 -5.538 -6.108 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.155 -5.883 -4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.069 -5.072 -5.840 1.00 0.00 H new ATOM 1025 N ASN A 70 -4.607 -2.171 -2.743 1.00 0.00 N ATOM 1026 CA ASN A 70 -5.447 -1.909 -1.581 1.00 0.00 C ATOM 1027 C ASN A 70 -6.644 -2.855 -1.549 1.00 0.00 C ATOM 1028 O ASN A 70 -7.490 -2.832 -2.441 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.932 -0.457 -1.593 1.00 0.00 C ATOM 1030 CG ASN A 70 -7.290 -0.296 -0.938 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -8.291 -0.051 -1.612 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -7.330 -0.432 0.382 1.00 0.00 N ATOM 0 H ASN A 70 -4.575 -1.409 -3.421 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.848 -2.079 -0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.206 0.170 -1.076 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.984 -0.103 -2.622 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.216 -0.334 0.878 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.475 -0.635 0.900 1.00 0.00 H new ATOM 1039 N GLY A 71 -6.706 -3.688 -0.514 1.00 0.00 N ATOM 1040 CA GLY A 71 -7.802 -4.630 -0.385 1.00 0.00 C ATOM 1041 C GLY A 71 -7.796 -5.679 -1.480 1.00 0.00 C ATOM 1042 O GLY A 71 -8.804 -6.347 -1.715 1.00 0.00 O ATOM 0 H GLY A 71 -6.017 -3.727 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.742 -5.122 0.586 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.748 -4.088 -0.410 1.00 0.00 H new ATOM 1046 N THR A 72 -6.659 -5.824 -2.153 1.00 0.00 N ATOM 1047 CA THR A 72 -6.528 -6.796 -3.230 1.00 0.00 C ATOM 1048 C THR A 72 -6.171 -8.175 -2.687 1.00 0.00 C ATOM 1049 O THR A 72 -5.552 -8.293 -1.630 1.00 0.00 O ATOM 1050 CB THR A 72 -5.455 -6.365 -4.248 1.00 0.00 C ATOM 1051 OG1 THR A 72 -5.735 -6.941 -5.529 1.00 0.00 O ATOM 1052 CG2 THR A 72 -4.069 -6.792 -3.787 1.00 0.00 C ATOM 0 H THR A 72 -5.816 -5.280 -1.971 1.00 0.00 H new ATOM 0 HA THR A 72 -7.495 -6.845 -3.730 1.00 0.00 H new ATOM 0 HB THR A 72 -5.476 -5.278 -4.326 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.049 -6.661 -6.171 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.328 -6.477 -4.522 1.00 0.00 H new ATOM 0 HG22 THR A 72 -3.847 -6.329 -2.826 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.038 -7.877 -3.683 1.00 0.00 H new ATOM 1060 N GLN A 73 -6.566 -9.214 -3.416 1.00 0.00 N ATOM 1061 CA GLN A 73 -6.287 -10.585 -3.005 1.00 0.00 C ATOM 1062 C GLN A 73 -5.363 -11.275 -4.003 1.00 0.00 C ATOM 1063 O GLN A 73 -5.813 -11.795 -5.024 1.00 0.00 O ATOM 1064 CB GLN A 73 -7.590 -11.373 -2.868 1.00 0.00 C ATOM 1065 CG GLN A 73 -7.382 -12.835 -2.506 1.00 0.00 C ATOM 1066 CD GLN A 73 -8.553 -13.709 -2.908 1.00 0.00 C ATOM 1067 OE1 GLN A 73 -9.710 -13.369 -2.660 1.00 0.00 O ATOM 1068 NE2 GLN A 73 -8.259 -14.843 -3.533 1.00 0.00 N ATOM 0 H GLN A 73 -7.080 -9.133 -4.293 1.00 0.00 H new ATOM 0 HA GLN A 73 -5.787 -10.553 -2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -8.210 -10.903 -2.105 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -8.141 -11.315 -3.807 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -6.477 -13.200 -2.992 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -7.223 -12.920 -1.431 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.286 -15.086 -3.718 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -9.006 -15.471 -3.828 1.00 0.00 H new ATOM 1077 N VAL A 74 -4.068 -11.275 -3.702 1.00 0.00 N ATOM 1078 CA VAL A 74 -3.081 -11.902 -4.572 1.00 0.00 C ATOM 1079 C VAL A 74 -2.504 -13.160 -3.932 1.00 0.00 C ATOM 1080 O VAL A 74 -2.289 -13.209 -2.722 1.00 0.00 O ATOM 1081 CB VAL A 74 -1.930 -10.934 -4.904 1.00 0.00 C ATOM 1082 CG1 VAL A 74 -2.476 -9.566 -5.286 1.00 0.00 C ATOM 1083 CG2 VAL A 74 -0.971 -10.824 -3.728 1.00 0.00 C ATOM 0 H VAL A 74 -3.678 -10.847 -2.862 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.597 -12.171 -5.494 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.380 -11.331 -5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.648 -8.895 -5.517 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.120 -9.662 -6.160 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -3.051 -9.159 -4.455 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.164 -10.136 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.507 -10.451 -2.855 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -0.554 -11.806 -3.505 1.00 0.00 H new ATOM 1093 N GLU A 75 -2.255 -14.175 -4.754 1.00 0.00 N ATOM 1094 CA GLU A 75 -1.703 -15.433 -4.267 1.00 0.00 C ATOM 1095 C GLU A 75 -2.582 -16.024 -3.168 1.00 0.00 C ATOM 1096 O GLU A 75 -2.098 -16.733 -2.286 1.00 0.00 O ATOM 1097 CB GLU A 75 -0.282 -15.223 -3.741 1.00 0.00 C ATOM 1098 CG GLU A 75 0.684 -14.699 -4.790 1.00 0.00 C ATOM 1099 CD GLU A 75 0.974 -15.717 -5.876 1.00 0.00 C ATOM 1100 OE1 GLU A 75 0.015 -16.179 -6.528 1.00 0.00 O ATOM 1101 OE2 GLU A 75 2.161 -16.052 -6.073 1.00 0.00 O ATOM 0 H GLU A 75 -2.427 -14.150 -5.759 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.674 -16.134 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.313 -14.523 -2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.096 -16.168 -3.351 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.269 -13.798 -5.243 1.00 0.00 H new ATOM 0 HG3 GLU A 75 1.618 -14.412 -4.307 1.00 0.00 H new ATOM 1108 N SER A 76 -3.876 -15.725 -3.228 1.00 0.00 N ATOM 1109 CA SER A 76 -4.822 -16.222 -2.237 1.00 0.00 C ATOM 1110 C SER A 76 -4.601 -15.545 -0.888 1.00 0.00 C ATOM 1111 O SER A 76 -4.929 -16.101 0.161 1.00 0.00 O ATOM 1112 CB SER A 76 -4.687 -17.739 -2.087 1.00 0.00 C ATOM 1113 OG SER A 76 -4.394 -18.350 -3.332 1.00 0.00 O ATOM 0 H SER A 76 -4.293 -15.141 -3.953 1.00 0.00 H new ATOM 0 HA SER A 76 -5.829 -15.986 -2.582 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.898 -17.968 -1.371 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.612 -18.152 -1.684 1.00 0.00 H new ATOM 0 HG SER A 76 -4.311 -19.319 -3.209 1.00 0.00 H new ATOM 1119 N VAL A 77 -4.042 -14.339 -0.922 1.00 0.00 N ATOM 1120 CA VAL A 77 -3.778 -13.584 0.297 1.00 0.00 C ATOM 1121 C VAL A 77 -4.184 -12.124 0.137 1.00 0.00 C ATOM 1122 O VAL A 77 -3.686 -11.424 -0.745 1.00 0.00 O ATOM 1123 CB VAL A 77 -2.289 -13.652 0.687 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -2.020 -12.799 1.917 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -1.866 -15.094 0.925 1.00 0.00 C ATOM 0 H VAL A 77 -3.763 -13.864 -1.781 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.374 -14.039 1.088 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.697 -13.255 -0.138 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.963 -12.859 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.283 -11.763 1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.621 -13.163 2.751 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.812 -15.123 1.199 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.463 -15.520 1.732 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.020 -15.673 0.015 1.00 0.00 H new ATOM 1135 N GLN A 78 -5.091 -11.670 0.996 1.00 0.00 N ATOM 1136 CA GLN A 78 -5.564 -10.292 0.950 1.00 0.00 C ATOM 1137 C GLN A 78 -4.544 -9.345 1.574 1.00 0.00 C ATOM 1138 O GLN A 78 -4.312 -9.374 2.783 1.00 0.00 O ATOM 1139 CB GLN A 78 -6.905 -10.166 1.676 1.00 0.00 C ATOM 1140 CG GLN A 78 -8.108 -10.384 0.773 1.00 0.00 C ATOM 1141 CD GLN A 78 -9.312 -10.918 1.524 1.00 0.00 C ATOM 1142 OE1 GLN A 78 -9.465 -12.128 1.695 1.00 0.00 O ATOM 1143 NE2 GLN A 78 -10.175 -10.016 1.977 1.00 0.00 N ATOM 0 H GLN A 78 -5.513 -12.236 1.732 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.697 -10.015 -0.096 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -6.937 -10.889 2.491 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.974 -9.176 2.126 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -8.373 -9.442 0.293 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.840 -11.082 -0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -10.009 -9.023 1.812 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -11.004 -10.316 2.490 1.00 0.00 H new ATOM 1152 N LEU A 79 -3.937 -8.506 0.742 1.00 0.00 N ATOM 1153 CA LEU A 79 -2.941 -7.549 1.211 1.00 0.00 C ATOM 1154 C LEU A 79 -3.560 -6.168 1.405 1.00 0.00 C ATOM 1155 O LEU A 79 -4.467 -5.774 0.670 1.00 0.00 O ATOM 1156 CB LEU A 79 -1.779 -7.465 0.220 1.00 0.00 C ATOM 1157 CG LEU A 79 -1.200 -8.800 -0.250 1.00 0.00 C ATOM 1158 CD1 LEU A 79 0.008 -8.572 -1.145 1.00 0.00 C ATOM 1159 CD2 LEU A 79 -0.826 -9.668 0.943 1.00 0.00 C ATOM 0 H LEU A 79 -4.117 -8.469 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.565 -7.896 2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.114 -6.909 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.978 -6.886 0.679 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.962 -9.322 -0.829 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.407 -9.533 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.290 -7.989 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.774 -8.030 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.416 -10.614 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.081 -9.152 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.714 -9.860 1.546 1.00 0.00 H new ATOM 1171 N LYS A 80 -3.064 -5.437 2.396 1.00 0.00 N ATOM 1172 CA LYS A 80 -3.565 -4.098 2.685 1.00 0.00 C ATOM 1173 C LYS A 80 -2.458 -3.059 2.540 1.00 0.00 C ATOM 1174 O LYS A 80 -1.581 -2.947 3.397 1.00 0.00 O ATOM 1175 CB LYS A 80 -4.147 -4.043 4.099 1.00 0.00 C ATOM 1176 CG LYS A 80 -5.113 -2.891 4.315 1.00 0.00 C ATOM 1177 CD LYS A 80 -5.968 -3.104 5.554 1.00 0.00 C ATOM 1178 CE LYS A 80 -7.237 -3.878 5.229 1.00 0.00 C ATOM 1179 NZ LYS A 80 -8.168 -3.084 4.380 1.00 0.00 N ATOM 0 H LYS A 80 -2.315 -5.749 3.014 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.351 -3.869 1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -4.661 -4.981 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -3.330 -3.961 4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.554 -1.960 4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.757 -2.786 3.442 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.393 -3.645 6.306 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.230 -2.139 5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.977 -4.803 4.715 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.739 -4.158 6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -9.139 -3.434 4.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.122 -2.083 4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -7.894 -3.180 3.381 1.00 0.00 H new ATOM 1193 N VAL A 81 -2.504 -2.301 1.449 1.00 0.00 N ATOM 1194 CA VAL A 81 -1.506 -1.269 1.193 1.00 0.00 C ATOM 1195 C VAL A 81 -2.050 0.116 1.524 1.00 0.00 C ATOM 1196 O VAL A 81 -3.188 0.443 1.191 1.00 0.00 O ATOM 1197 CB VAL A 81 -1.043 -1.289 -0.276 1.00 0.00 C ATOM 1198 CG1 VAL A 81 0.242 -0.491 -0.442 1.00 0.00 C ATOM 1199 CG2 VAL A 81 -0.857 -2.720 -0.756 1.00 0.00 C ATOM 0 H VAL A 81 -3.221 -2.382 0.728 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.654 -1.485 1.838 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.814 -0.822 -0.888 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.554 -0.516 -1.486 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.070 0.542 -0.140 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.024 -0.926 0.181 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.530 -2.715 -1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.105 -3.215 -0.141 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.802 -3.257 -0.676 1.00 0.00 H new ATOM 1209 N ASN A 82 -1.228 0.927 2.182 1.00 0.00 N ATOM 1210 CA ASN A 82 -1.626 2.278 2.559 1.00 0.00 C ATOM 1211 C ASN A 82 -0.467 3.255 2.388 1.00 0.00 C ATOM 1212 O ASN A 82 0.699 2.860 2.410 1.00 0.00 O ATOM 1213 CB ASN A 82 -2.119 2.302 4.007 1.00 0.00 C ATOM 1214 CG ASN A 82 -3.118 3.414 4.260 1.00 0.00 C ATOM 1215 OD1 ASN A 82 -2.765 4.594 4.258 1.00 0.00 O ATOM 1216 ND2 ASN A 82 -4.374 3.042 4.479 1.00 0.00 N ATOM 0 H ASN A 82 -0.282 0.672 2.465 1.00 0.00 H new ATOM 0 HA ASN A 82 -2.438 2.587 1.901 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.578 1.343 4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.267 2.424 4.676 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -5.091 3.746 4.655 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -4.622 2.053 4.471 1.00 0.00 H new ATOM 1223 N ILE A 83 -0.795 4.531 2.219 1.00 0.00 N ATOM 1224 CA ILE A 83 0.219 5.564 2.047 1.00 0.00 C ATOM 1225 C ILE A 83 0.895 5.897 3.372 1.00 0.00 C ATOM 1226 O ILE A 83 0.396 6.713 4.147 1.00 0.00 O ATOM 1227 CB ILE A 83 -0.384 6.851 1.453 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -1.305 6.515 0.278 1.00 0.00 C ATOM 1229 CG2 ILE A 83 0.721 7.800 1.013 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -0.567 6.009 -0.941 1.00 0.00 C ATOM 0 H ILE A 83 -1.755 4.875 2.197 1.00 0.00 H new ATOM 0 HA ILE A 83 0.960 5.166 1.354 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.976 7.346 2.223 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.026 5.761 0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.873 7.405 0.006 1.00 0.00 H new ATOM 0 HG21 ILE A 83 0.279 8.705 0.595 1.00 0.00 H new ATOM 0 HG22 ILE A 83 1.339 8.061 1.872 1.00 0.00 H new ATOM 0 HG23 ILE A 83 1.337 7.315 0.256 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.282 5.791 -1.734 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.134 6.770 -1.284 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -0.021 5.101 -0.685 1.00 0.00 H new ATOM 1242 N ALA A 84 2.035 5.262 3.625 1.00 0.00 N ATOM 1243 CA ALA A 84 2.782 5.494 4.855 1.00 0.00 C ATOM 1244 C ALA A 84 2.936 6.985 5.131 1.00 0.00 C ATOM 1245 O ALA A 84 3.354 7.748 4.259 1.00 0.00 O ATOM 1246 CB ALA A 84 4.147 4.826 4.776 1.00 0.00 C ATOM 0 H ALA A 84 2.461 4.583 2.994 1.00 0.00 H new ATOM 0 HA ALA A 84 2.221 5.055 5.680 1.00 0.00 H new ATOM 0 HB1 ALA A 84 4.695 5.007 5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.019 3.753 4.634 1.00 0.00 H new ATOM 0 HB3 ALA A 84 4.706 5.239 3.936 1.00 0.00 H new ATOM 1252 N ARG A 85 2.595 7.395 6.348 1.00 0.00 N ATOM 1253 CA ARG A 85 2.694 8.797 6.738 1.00 0.00 C ATOM 1254 C ARG A 85 4.072 9.104 7.317 1.00 0.00 C ATOM 1255 O ARG A 85 4.194 9.817 8.314 1.00 0.00 O ATOM 1256 CB ARG A 85 1.610 9.141 7.761 1.00 0.00 C ATOM 1257 CG ARG A 85 1.657 8.279 9.012 1.00 0.00 C ATOM 1258 CD ARG A 85 0.901 8.924 10.162 1.00 0.00 C ATOM 1259 NE ARG A 85 -0.533 9.005 9.898 1.00 0.00 N ATOM 1260 CZ ARG A 85 -1.409 9.531 10.747 1.00 0.00 C ATOM 1261 NH1 ARG A 85 -0.999 10.021 11.908 1.00 0.00 N ATOM 1262 NH2 ARG A 85 -2.698 9.568 10.434 1.00 0.00 N ATOM 0 H ARG A 85 2.248 6.777 7.081 1.00 0.00 H new ATOM 0 HA ARG A 85 2.550 9.408 5.847 1.00 0.00 H new ATOM 0 HB2 ARG A 85 1.712 10.188 8.047 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.632 9.032 7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 85 1.228 7.300 8.797 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.694 8.115 9.304 1.00 0.00 H new ATOM 0 HD2 ARG A 85 1.070 8.351 11.073 1.00 0.00 H new ATOM 0 HD3 ARG A 85 1.294 9.925 10.338 1.00 0.00 H new ATOM 0 HE ARG A 85 -0.881 8.637 9.013 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.009 9.995 12.151 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -1.674 10.424 12.558 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.017 9.192 9.541 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.370 9.972 11.087 1.00 0.00 H new ATOM 1276 N LYS A 86 5.108 8.561 6.687 1.00 0.00 N ATOM 1277 CA LYS A 86 6.477 8.777 7.138 1.00 0.00 C ATOM 1278 C LYS A 86 7.363 9.240 5.986 1.00 0.00 C ATOM 1279 O LYS A 86 8.510 8.811 5.862 1.00 0.00 O ATOM 1280 CB LYS A 86 7.044 7.491 7.745 1.00 0.00 C ATOM 1281 CG LYS A 86 7.171 6.352 6.749 1.00 0.00 C ATOM 1282 CD LYS A 86 7.932 5.177 7.340 1.00 0.00 C ATOM 1283 CE LYS A 86 9.434 5.340 7.162 1.00 0.00 C ATOM 1284 NZ LYS A 86 9.859 5.072 5.760 1.00 0.00 N ATOM 0 H LYS A 86 5.025 7.967 5.862 1.00 0.00 H new ATOM 0 HA LYS A 86 6.463 9.557 7.899 1.00 0.00 H new ATOM 0 HB2 LYS A 86 8.025 7.702 8.170 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.402 7.174 8.567 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.178 6.025 6.440 1.00 0.00 H new ATOM 0 HG3 LYS A 86 7.683 6.705 5.854 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.698 5.087 8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.606 4.253 6.862 1.00 0.00 H new ATOM 0 HE2 LYS A 86 9.725 6.352 7.442 1.00 0.00 H new ATOM 0 HE3 LYS A 86 9.955 4.660 7.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.895 4.993 5.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.431 4.183 5.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.548 5.853 5.148 1.00 0.00 H new ATOM 1298 N GLN A 87 6.823 10.119 5.147 1.00 0.00 N ATOM 1299 CA GLN A 87 7.566 10.641 4.006 1.00 0.00 C ATOM 1300 C GLN A 87 7.958 12.098 4.232 1.00 0.00 C ATOM 1301 O GLN A 87 7.240 13.025 3.857 1.00 0.00 O ATOM 1302 CB GLN A 87 6.734 10.517 2.729 1.00 0.00 C ATOM 1303 CG GLN A 87 6.030 9.177 2.589 1.00 0.00 C ATOM 1304 CD GLN A 87 4.769 9.264 1.753 1.00 0.00 C ATOM 1305 OE1 GLN A 87 4.346 10.351 1.357 1.00 0.00 O ATOM 1306 NE2 GLN A 87 4.159 8.117 1.479 1.00 0.00 N ATOM 0 H GLN A 87 5.875 10.484 5.236 1.00 0.00 H new ATOM 0 HA GLN A 87 8.476 10.051 3.897 1.00 0.00 H new ATOM 0 HB2 GLN A 87 5.989 11.313 2.712 1.00 0.00 H new ATOM 0 HB3 GLN A 87 7.383 10.669 1.866 1.00 0.00 H new ATOM 0 HG2 GLN A 87 6.713 8.458 2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 87 5.779 8.798 3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 87 4.544 7.239 1.827 1.00 0.00 H new ATOM 0 HE22 GLN A 87 3.306 8.114 0.920 1.00 0.00 H new ATOM 1315 N PRO A 88 9.125 12.307 4.860 1.00 0.00 N ATOM 1316 CA PRO A 88 9.639 13.648 5.150 1.00 0.00 C ATOM 1317 C PRO A 88 10.073 14.388 3.889 1.00 0.00 C ATOM 1318 O PRO A 88 10.474 15.550 3.946 1.00 0.00 O ATOM 1319 CB PRO A 88 10.844 13.379 6.053 1.00 0.00 C ATOM 1320 CG PRO A 88 11.283 12.000 5.699 1.00 0.00 C ATOM 1321 CD PRO A 88 10.032 11.249 5.335 1.00 0.00 C ATOM 0 HA PRO A 88 8.881 14.285 5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 88 11.639 14.104 5.879 1.00 0.00 H new ATOM 0 HB3 PRO A 88 10.573 13.450 7.106 1.00 0.00 H new ATOM 0 HG2 PRO A 88 11.985 12.016 4.866 1.00 0.00 H new ATOM 0 HG3 PRO A 88 11.793 11.525 6.537 1.00 0.00 H new ATOM 0 HD2 PRO A 88 10.221 10.505 4.562 1.00 0.00 H new ATOM 0 HD3 PRO A 88 9.617 10.719 6.193 1.00 0.00 H new ATOM 1329 N MET A 89 9.990 13.706 2.751 1.00 0.00 N ATOM 1330 CA MET A 89 10.373 14.300 1.475 1.00 0.00 C ATOM 1331 C MET A 89 9.172 14.400 0.539 1.00 0.00 C ATOM 1332 O MET A 89 8.335 13.498 0.488 1.00 0.00 O ATOM 1333 CB MET A 89 11.480 13.476 0.816 1.00 0.00 C ATOM 1334 CG MET A 89 12.368 14.285 -0.115 1.00 0.00 C ATOM 1335 SD MET A 89 13.752 13.327 -0.762 1.00 0.00 S ATOM 1336 CE MET A 89 14.552 12.820 0.759 1.00 0.00 C ATOM 0 H MET A 89 9.661 12.743 2.686 1.00 0.00 H new ATOM 0 HA MET A 89 10.745 15.306 1.669 1.00 0.00 H new ATOM 0 HB2 MET A 89 12.098 13.025 1.593 1.00 0.00 H new ATOM 0 HB3 MET A 89 11.028 12.659 0.254 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.770 14.660 -0.946 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.751 15.154 0.419 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.607 12.623 0.567 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.460 13.614 1.500 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.076 11.915 1.136 1.00 0.00 H new ATOM 1346 N LEU A 90 9.093 15.502 -0.199 1.00 0.00 N ATOM 1347 CA LEU A 90 7.994 15.719 -1.133 1.00 0.00 C ATOM 1348 C LEU A 90 8.508 15.814 -2.566 1.00 0.00 C ATOM 1349 O LEU A 90 9.622 16.280 -2.808 1.00 0.00 O ATOM 1350 CB LEU A 90 7.233 16.994 -0.768 1.00 0.00 C ATOM 1351 CG LEU A 90 6.438 16.951 0.538 1.00 0.00 C ATOM 1352 CD1 LEU A 90 5.949 18.341 0.912 1.00 0.00 C ATOM 1353 CD2 LEU A 90 5.268 15.986 0.419 1.00 0.00 C ATOM 0 H LEU A 90 9.776 16.259 -0.169 1.00 0.00 H new ATOM 0 HA LEU A 90 7.318 14.867 -1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 90 7.947 17.815 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.546 17.228 -1.581 1.00 0.00 H new ATOM 0 HG LEU A 90 7.097 16.595 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.386 18.290 1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 90 6.804 19.005 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.307 18.726 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.714 15.968 1.357 1.00 0.00 H new ATOM 0 HD22 LEU A 90 4.609 16.311 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.642 14.986 0.200 1.00 0.00 H new ATOM 1365 N ASP A 91 7.690 15.370 -3.514 1.00 0.00 N ATOM 1366 CA ASP A 91 8.060 15.407 -4.924 1.00 0.00 C ATOM 1367 C ASP A 91 8.014 16.834 -5.460 1.00 0.00 C ATOM 1368 O ASP A 91 7.405 17.716 -4.854 1.00 0.00 O ATOM 1369 CB ASP A 91 7.128 14.511 -5.741 1.00 0.00 C ATOM 1370 CG ASP A 91 7.496 14.483 -7.212 1.00 0.00 C ATOM 1371 OD1 ASP A 91 8.474 13.790 -7.566 1.00 0.00 O ATOM 1372 OD2 ASP A 91 6.806 15.151 -8.009 1.00 0.00 O ATOM 0 H ASP A 91 6.765 14.980 -3.331 1.00 0.00 H new ATOM 0 HA ASP A 91 9.081 15.036 -5.017 1.00 0.00 H new ATOM 0 HB2 ASP A 91 7.161 13.497 -5.342 1.00 0.00 H new ATOM 0 HB3 ASP A 91 6.102 14.863 -5.632 1.00 0.00 H new ATOM 1377 N SER A 92 8.662 17.054 -6.599 1.00 0.00 N ATOM 1378 CA SER A 92 8.700 18.376 -7.215 1.00 0.00 C ATOM 1379 C SER A 92 9.319 18.309 -8.607 1.00 0.00 C ATOM 1380 O SER A 92 10.232 17.523 -8.856 1.00 0.00 O ATOM 1381 CB SER A 92 9.492 19.347 -6.338 1.00 0.00 C ATOM 1382 OG SER A 92 10.877 19.047 -6.366 1.00 0.00 O ATOM 0 H SER A 92 9.168 16.334 -7.115 1.00 0.00 H new ATOM 0 HA SER A 92 7.675 18.736 -7.309 1.00 0.00 H new ATOM 0 HB2 SER A 92 9.331 20.368 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.127 19.296 -5.312 1.00 0.00 H new ATOM 0 HG SER A 92 11.361 19.683 -5.799 1.00 0.00 H new ATOM 1388 N GLY A 93 8.814 19.141 -9.513 1.00 0.00 N ATOM 1389 CA GLY A 93 9.329 19.161 -10.870 1.00 0.00 C ATOM 1390 C GLY A 93 10.269 20.324 -11.117 1.00 0.00 C ATOM 1391 O GLY A 93 9.918 21.487 -10.915 1.00 0.00 O ATOM 0 H GLY A 93 8.058 19.801 -9.332 1.00 0.00 H new ATOM 0 HA2 GLY A 93 9.852 18.226 -11.070 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.496 19.216 -11.571 1.00 0.00 H new ATOM 1395 N PRO A 94 11.495 20.015 -11.562 1.00 0.00 N ATOM 1396 CA PRO A 94 12.515 21.030 -11.845 1.00 0.00 C ATOM 1397 C PRO A 94 12.174 21.868 -13.072 1.00 0.00 C ATOM 1398 O PRO A 94 12.915 22.780 -13.438 1.00 0.00 O ATOM 1399 CB PRO A 94 13.778 20.203 -12.096 1.00 0.00 C ATOM 1400 CG PRO A 94 13.278 18.876 -12.552 1.00 0.00 C ATOM 1401 CD PRO A 94 11.982 18.650 -11.825 1.00 0.00 C ATOM 0 HA PRO A 94 12.614 21.747 -11.030 1.00 0.00 H new ATOM 0 HB2 PRO A 94 14.412 20.668 -12.851 1.00 0.00 H new ATOM 0 HB3 PRO A 94 14.377 20.110 -11.190 1.00 0.00 H new ATOM 0 HG2 PRO A 94 13.127 18.866 -13.631 1.00 0.00 H new ATOM 0 HG3 PRO A 94 13.996 18.089 -12.323 1.00 0.00 H new ATOM 0 HD2 PRO A 94 11.276 18.081 -12.430 1.00 0.00 H new ATOM 0 HD3 PRO A 94 12.132 18.092 -10.901 1.00 0.00 H new ATOM 1409 N SER A 95 11.047 21.553 -13.704 1.00 0.00 N ATOM 1410 CA SER A 95 10.610 22.275 -14.892 1.00 0.00 C ATOM 1411 C SER A 95 9.123 22.047 -15.150 1.00 0.00 C ATOM 1412 O SER A 95 8.597 20.964 -14.897 1.00 0.00 O ATOM 1413 CB SER A 95 11.424 21.836 -16.111 1.00 0.00 C ATOM 1414 OG SER A 95 12.665 22.518 -16.168 1.00 0.00 O ATOM 0 H SER A 95 10.421 20.803 -13.412 1.00 0.00 H new ATOM 0 HA SER A 95 10.773 23.339 -14.720 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.598 20.761 -16.068 1.00 0.00 H new ATOM 0 HB3 SER A 95 10.856 22.031 -17.021 1.00 0.00 H new ATOM 0 HG SER A 95 12.950 22.755 -15.261 1.00 0.00 H new ATOM 1420 N SER A 96 8.452 23.077 -15.657 1.00 0.00 N ATOM 1421 CA SER A 96 7.026 22.991 -15.946 1.00 0.00 C ATOM 1422 C SER A 96 6.740 23.383 -17.393 1.00 0.00 C ATOM 1423 O SER A 96 7.434 24.220 -17.969 1.00 0.00 O ATOM 1424 CB SER A 96 6.236 23.894 -14.996 1.00 0.00 C ATOM 1425 OG SER A 96 5.947 23.225 -13.780 1.00 0.00 O ATOM 0 H SER A 96 8.873 23.980 -15.876 1.00 0.00 H new ATOM 0 HA SER A 96 6.713 21.957 -15.799 1.00 0.00 H new ATOM 0 HB2 SER A 96 6.807 24.799 -14.790 1.00 0.00 H new ATOM 0 HB3 SER A 96 5.307 24.205 -15.473 1.00 0.00 H new ATOM 0 HG SER A 96 5.443 23.823 -13.189 1.00 0.00 H new ATOM 1431 N GLY A 97 5.713 22.771 -17.974 1.00 0.00 N ATOM 1432 CA GLY A 97 5.353 23.068 -19.348 1.00 0.00 C ATOM 1433 C GLY A 97 5.156 21.816 -20.179 1.00 0.00 C ATOM 1434 O GLY A 97 4.410 20.917 -19.792 1.00 0.00 O ATOM 0 H GLY A 97 5.124 22.075 -17.518 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.436 23.657 -19.361 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.132 23.682 -19.800 1.00 0.00 H new TER 1438 GLY A 97